6-(4-Hydroxy-3,5-diiodobenzamido)penicilloic acid
TL;DR: 6-(4-Hydroxy-3,5-diiodobenzamido)penicilloic acid (CAS 94887-73-7) is a chemical compound with molecular formula C15H14I2N2O5S and molecular weight 587.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-6-[(4-hydroxy-3,5-diiodobenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Ohdibp, 6-(4-Hydroxy-3,5-diiodobenzamido)penicilloic acid, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((4-hydroxy-3,5-diiodobenzoyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta))-, -6-[ amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, (2S,5R,6R)-6-(4-Hydroxy-3,5-diiodobenzamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
| Molecular Formula | C15H14I2N2O5S |
|---|---|
| Molecular Weight | 587.87 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 587.8713 |
| Heavy Atoms | 25 |
| Complexity | 607.0 |
Chemical Identifiers
| CAS Number | 94887-73-7 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3=CC(=C(C(=C3)I)O)I)C(=O)O)C |
| InChIKey | NBUBLMPREAGKRH-DFAYQTQMSA-N |
Product Overview
6-(4-Hydroxy-3,5-diiodobenzamido)penicilloic acid (CAS 94887-73-7), with molecular formula C15H14I2N2O5S and molecular weight 587.87 g/mol. IUPAC: (2S,5R,6R)-6-[(4-hydroxy-3,5-diiodobenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of 6-(4-Hydroxy-3,5-diiodobenzamido)penicilloic acid
Property Insights of 6-(4-Hydroxy-3,5-diiodobenzamido)penicilloic acid
The XLogP value of 3.1 indicates that 6-(4-Hydroxy-3,5-diiodobenzamido)penicilloic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-Hydroxy-3,5-diiodobenzamido)penicilloic acid. Following Lipinski's Rule of Five, 6-(4-Hydroxy-3,5-diiodobenzamido)penicilloic acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-(4-Hydroxy-3,5-diiodobenzamido)penicilloic acid?
The CAS number of 6-(4-Hydroxy-3,5-diiodobenzamido)penicilloic acid is 94887-73-7.
What is the molecular formula of 6-(4-Hydroxy-3,5-diiodobenzamido)penicilloic acid?
The molecular formula of 6-(4-Hydroxy-3,5-diiodobenzamido)penicilloic acid is C15H14I2N2O5S.
What is the molecular weight of 6-(4-Hydroxy-3,5-diiodobenzamido)penicilloic acid?
The molecular weight of 6-(4-Hydroxy-3,5-diiodobenzamido)penicilloic acid is 587.87 g/mol.
Where can I buy 6-(4-Hydroxy-3,5-diiodobenzamido)penicilloic acid?
You can request a quote for 6-(4-Hydroxy-3,5-diiodobenzamido)penicilloic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4-Hydroxy-3,5-diiodobenzamido)penicilloic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-Hydroxy-3,5-diiodobenzamido)penicilloic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.