苯甲酸-|A-13C
TL;DR: 苯甲酸-|A-13C (CAS 3880-99-7) is a chemical compound with molecular formula C7H6O2 and molecular weight 123.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯甲酸-|A-13C
(13C)benzoic acid
Also Known As: Benzoic acid-alpha-13C, benzoic acid, Benzoic-13C Acid, Benzoic acid-13C, Benzoic acid-
| Molecular Formula | C7H6O2 |
|---|---|
| Molecular Weight | 123.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 123.04013 |
| Heavy Atoms | 9 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 3880-99-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)[13C](=O)O |
| InChIKey | WPYMKLBDIGXBTP-CDYZYAPPSA-N |
Product Overview
苯甲酸-|A-13C (CAS 3880-99-7), with molecular formula C7H6O2 and molecular weight 123.04 g/mol. IUPAC: (13C)benzoic acid.
Chemical Property Profile of 苯甲酸-|A-13C
Property Insights of 苯甲酸-|A-13C
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯甲酸-|A-13C. With a topological polar surface area (TPSA) of 37.3 Ų, 苯甲酸-|A-13C exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯甲酸-|A-13C has 1 hydrogen bond donor(s) and 2 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 苯甲酸-|A-13C?
The CAS number of 苯甲酸-|A-13C is 3880-99-7.
What is the molecular formula of 苯甲酸-|A-13C?
The molecular formula of 苯甲酸-|A-13C is C7H6O2.
What is the molecular weight of 苯甲酸-|A-13C?
The molecular weight of 苯甲酸-|A-13C is 123.04 g/mol.
Where can I buy 苯甲酸-|A-13C?
You can request a quote for 苯甲酸-|A-13C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯甲酸-|A-13C?
Yes, KEHONG BIO provides custom synthesis services for 苯甲酸-|A-13C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.