4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-4,5-dimethyl-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-4,5-dimethyl-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))- (CAS 61834-11-5) is a chemical compound with molecular formula C15H22N2O5S and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-6-[(4,5-dimethyloxolane-2-carbonyl)amino]-3,3-dimethyl-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-4,5-dimethyl-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))-, (2S,5R,6R)-6-(4,5-Dimethyloxolane-2-carboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (2S,5R,6R)-6-[(4,5-dimethyloxolane-2-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, BRN 5391925, RefChem:296470
| Molecular Formula | C15H22N2O5S |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | 0.4316 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.12494 |
| Heavy Atoms | 23 |
| Complexity | 556.0705 |
Chemical Identifiers
| CAS Number | 61834-11-5 |
|---|---|
| SMILES | CC1CC(OC1C)C(=O)N[C@H]2[C@@H]3N(C2=O)[C@H](C(S3)(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-4,5-dimethyl-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))- (CAS 61834-11-5), with molecular formula C15H22N2O5S and molecular weight 342.12 g/mol. IUPAC: (2S,5R,6R)-6-[(4,5-dimethyloxolane-2-carbonyl)amino]-3,3-dimethyl-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-4,5-dimethyl-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-4,5-dimethyl-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))-
The XLogP value of 0.4316 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-4,5-dimethyl-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-4,5-dimethyl-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-4,5-dimethyl-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-4,5-dimethyl-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-4,5-dimethyl-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))- is 61834-11-5.
What is the molecular formula of 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-4,5-dimethyl-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-4,5-dimethyl-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))- is C15H22N2O5S.
What is the molecular weight of 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-4,5-dimethyl-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-4,5-dimethyl-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))- is 342.12 g/mol.
Where can I buy 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-4,5-dimethyl-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-4,5-dimethyl-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-4,5-dimethyl-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-4,5-dimethyl-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.