(3-氯苯基)膦酸
TL;DR: (3-氯苯基)膦酸 (CAS 5431-34-5) is a chemical compound with molecular formula C6H6ClO3P and molecular weight 191.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-氯苯基)膦酸
(3-chlorophenyl)phosphonic acid
Also Known As: (3-chlorophenyl)phosphonic acid, Phosphonic acid, (m-chlorophenyl)-, (m-Chlorophenyl)phosphonic acid, 3-CHLOROPHENYLPHOSPHONIC ACID, Phosphonic acid, (3-chlorophenyl)-
| Molecular Formula | C6H6ClO3P |
|---|---|
| Molecular Weight | 191.97 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.9743 |
| Heavy Atoms | 11 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 5431-34-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)P(=O)(O)O |
| InChIKey | KPRMTLXLUPSXMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3-氯苯基)膦酸 (CAS 5431-34-5), with molecular formula C6H6ClO3P and molecular weight 191.97 g/mol. IUPAC: (3-chlorophenyl)phosphonic acid.
Chemical Property Profile of (3-氯苯基)膦酸
Property Insights of (3-氯苯基)膦酸
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-氯苯基)膦酸. With a topological polar surface area (TPSA) of 57.5 Ų, (3-氯苯基)膦酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (间氯苯基)膦酸 has 2 hydrogen bond donor(s) and 3 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 (间氯苯基)膦酸?
The CAS number of (间氯苯基)膦酸 is 5431-34-5.
What is the molecular formula of (间氯苯基)膦酸?
The molecular formula of (间氯苯基)膦酸 is C6H6ClO3P.
What is the molecular weight of (间氯苯基)膦酸?
The molecular weight of (间氯苯基)膦酸 is 191.97 g/mol.
Where can I buy (间氯苯基)膦酸?
You can request a quote for (间氯苯基)膦酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (间氯苯基)膦酸?
Yes, KEHONG BIO provides custom synthesis services for (间氯苯基)膦酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.