双(3-氯苯基)磷酸氢酯
TL;DR: 双(3-氯苯基)磷酸氢酯 (CAS 79850-87-6) is a chemical compound with molecular formula C12H9Cl2O4P and molecular weight 317.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
双(3-氯苯基)磷酸氢酯
bis(3-chlorophenyl) hydrogen phosphate
Also Known As: bis(3-chlorophenyl) hydrogen phosphate, BIS(3-CHLOROPHENOXY)PHOSPHINIC ACID, BIM-0005132.P001
| Molecular Formula | C12H9Cl2O4P |
|---|---|
| Molecular Weight | 317.96 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.96155 |
| Heavy Atoms | 19 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 79850-87-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)OP(=O)(O)OC2=CC(=CC=C2)Cl |
| InChIKey | CFJQLIQGZQDAGG-UHFFFAOYSA-N |
Product Overview
双(3-氯苯基)磷酸氢酯 (CAS 79850-87-6), with molecular formula C12H9Cl2O4P and molecular weight 317.96 g/mol. IUPAC: bis(3-chlorophenyl) hydrogen phosphate.
Chemical Property Profile of 双(3-氯苯基)磷酸氢酯
Property Insights of 双(3-氯苯基)磷酸氢酯
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 双(3-氯苯基)磷酸氢酯. With a topological polar surface area (TPSA) of 55.8 Ų, 双(3-氯苯基)磷酸氢酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 双(3-氯苯基)磷酸氢酯 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 双(3-氯苯基)磷酸氢酯?
The CAS number of 双(3-氯苯基)磷酸氢酯 is 79850-87-6.
What is the molecular formula of 双(3-氯苯基)磷酸氢酯?
The molecular formula of 双(3-氯苯基)磷酸氢酯 is C12H9Cl2O4P.
What is the molecular weight of 双(3-氯苯基)磷酸氢酯?
The molecular weight of 双(3-氯苯基)磷酸氢酯 is 317.96 g/mol.
Where can I buy 双(3-氯苯基)磷酸氢酯?
You can request a quote for 双(3-氯苯基)磷酸氢酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双(3-氯苯基)磷酸氢酯?
Yes, KEHONG BIO provides custom synthesis services for 双(3-氯苯基)磷酸氢酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.