4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-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-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))- (CAS 47148-14-1) is a chemical compound with molecular formula C13H18N2O5S and molecular weight 314.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(oxolane-2-carbonylamino)-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-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))-, (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(oxolane-2-carbonylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-(oxolane-2-carboxamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, BRN 0963890, RefChem:296469
| Molecular Formula | C13H18N2O5S |
|---|---|
| Molecular Weight | 314.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.09363 |
| Heavy Atoms | 21 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 47148-14-1 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3CCCO3)C(=O)O)C |
| InChIKey | WNIYWLYCTIWZMO-IOCSBZMTSA-N |
Product Overview
4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))- (CAS 47148-14-1), with molecular formula C13H18N2O5S and molecular weight 314.09 g/mol. IUPAC: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(oxolane-2-carbonylamino)-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-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-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))-
The XLogP value of 0.9 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-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))-. The TPSA of 121.0 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-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-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))- has 2 hydrogen bond donor(s) and 6 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-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-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))- is 47148-14-1.
What is the molecular formula of 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-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-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))- is C13H18N2O5S.
What is the molecular weight of 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-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-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))- is 314.09 g/mol.
Where can I buy 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-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-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-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-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.