CID 5317
TL;DR: CID 5317 (CAS 41744-40-5) is a chemical compound with molecular formula C16H18N2O7S2 and molecular weight 414.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-7-oxo-6-[(2-phenyl-2-sulfoacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Sulbenicillin, alpha-sulfobenzylpenicillin, (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2R)-2-phenyl-2-sulfoacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-Dimethyl-7-oxo-6-(2-phenyl-2-sulfoacetamido)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(2-phenyl-2-sulfoacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
| Molecular Formula | C16H18N2O7S2 |
|---|---|
| Molecular Weight | 414.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.05554 |
| Heavy Atoms | 27 |
| Complexity | 755.0 |
Chemical Identifiers
| CAS Number | 41744-40-5 |
|---|---|
| SMILES | CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)O)C(=O)O)C |
| InChIKey | JETQIUPBHQNHNZ-UHFFFAOYSA-N |
Product Overview
CID 5317 (CAS 41744-40-5), with molecular formula C16H18N2O7S2 and molecular weight 414.06 g/mol. IUPAC: 3,3-dimethyl-7-oxo-6-[(2-phenyl-2-sulfoacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of CID 5317
Property Insights of CID 5317
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CID 5317. The TPSA of 175.0 Ų indicates high polarity, suggesting CID 5317 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CID 5317 has 3 hydrogen bond donor(s) and 8 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 CID 5317?
The CAS number of CID 5317 is 41744-40-5.
What is the molecular formula of CID 5317?
The molecular formula of CID 5317 is C16H18N2O7S2.
What is the molecular weight of CID 5317?
The molecular weight of CID 5317 is 414.06 g/mol.
Where can I buy CID 5317?
You can request a quote for CID 5317 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CID 5317?
Yes, KEHONG BIO provides custom synthesis services for CID 5317 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.