6-Iodopenicillanic acid
TL;DR: 6-Iodopenicillanic acid (CAS 74772-32-0) is a chemical compound with molecular formula C8H10INO3S and molecular weight 326.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-6-iodo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: 6-iodopenicillanic acid, 6beta-Iodopenicillanate, 6-beta-Iodopenicillanic acid, 6alpha-Iodopenicillanic acid, KST-1A8227
| Molecular Formula | C8H10INO3S |
|---|---|
| Molecular Weight | 326.94 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 82.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.9426 |
| Heavy Atoms | 14 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 74772-32-0 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)I)C(=O)O)C |
| InChIKey | XWDSFLSFDJZQTM-ALEPSDHESA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Iodopenicillanic acid (CAS 74772-32-0), with molecular formula C8H10INO3S and molecular weight 326.94 g/mol. IUPAC: (2S,5R,6R)-6-iodo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of 6-Iodopenicillanic acid
Property Insights of 6-Iodopenicillanic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Iodopenicillanic acid. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Iodopenicillanic acid. Following Lipinski's Rule of Five, 6-Iodopenicillanic acid has 1 hydrogen bond donor(s) and 4 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 6-Iodopenicillanic acid?
The CAS number of 6-Iodopenicillanic acid is 74772-32-0.
What is the molecular formula of 6-Iodopenicillanic acid?
The molecular formula of 6-Iodopenicillanic acid is C8H10INO3S.
What is the molecular weight of 6-Iodopenicillanic acid?
The molecular weight of 6-Iodopenicillanic acid is 326.94 g/mol.
Where can I buy 6-Iodopenicillanic acid?
You can request a quote for 6-Iodopenicillanic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Iodopenicillanic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Iodopenicillanic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.