4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-5-((4-methylphenyl)methyl)-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))-
TL;DR: 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-5-((4-methylphenyl)methyl)-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))- (CAS 62042-70-0) is a chemical compound with molecular formula C21H26N2O5S and molecular weight 418.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-6-[[5-[(4-methylphenyl)methyl]oxolane-2-carbonyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-5-((4-methylphenyl)methyl)-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))-, 3,3-dimethyl-6-[[5-[(4-methylphenyl)methyl]oxolane-2-carbonyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(Hydroxy{5-[(4-methylphenyl)methyl]oxolan-2-yl}methylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, BRN 5394588, RefChem:296472
| Molecular Formula | C21H26N2O5S |
|---|---|
| Molecular Weight | 418.16 g/mol |
| LogP | 1.71682 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.15625 |
| Heavy Atoms | 29 |
| Complexity | 839.97815 |
Chemical Identifiers
| CAS Number | 62042-70-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CC2CCC(O2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O |
Product Overview
4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-5-((4-methylphenyl)methyl)-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))- (CAS 62042-70-0), with molecular formula C21H26N2O5S and molecular weight 418.16 g/mol. IUPAC: 3,3-dimethyl-6-[[5-[(4-methylphenyl)methyl]oxolane-2-carbonyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-5-((4-methylphenyl)methyl)-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))-
Property Insights of 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-5-((4-methylphenyl)methyl)-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))-
The XLogP value of 1.71682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-5-((4-methylphenyl)methyl)-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))-. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-5-((4-methylphenyl)methyl)-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))-. Following Lipinski's Rule of Five, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-5-((4-methylphenyl)methyl)-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-5-((4-methylphenyl)methyl)-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))-?
The CAS number of 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-5-((4-methylphenyl)methyl)-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))- is 62042-70-0.
What is the molecular formula of 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-5-((4-methylphenyl)methyl)-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))-?
The molecular formula of 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-5-((4-methylphenyl)methyl)-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))- is C21H26N2O5S.
What is the molecular weight of 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-5-((4-methylphenyl)methyl)-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))-?
The molecular weight of 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-5-((4-methylphenyl)methyl)-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))- is 418.16 g/mol.
Where can I buy 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-5-((4-methylphenyl)methyl)-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))-?
You can request a quote for 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-5-((4-methylphenyl)methyl)-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-5-((4-methylphenyl)methyl)-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))-?
Yes, KEHONG BIO provides custom synthesis services for 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-5-((4-methylphenyl)methyl)-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.