4-Amino-2-chlorobenzoic acid-diphenyl hydrogen phosphate(1:1)
TL;DR: 4-Amino-2-chlorobenzoic acid-diphenyl hydrogen phosphate(1:1) (CAS 34456-75-2) is a chemical compound with molecular formula C19H17ClNO6P and molecular weight 421.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-2-chlorobenzoic acid;diphenyl hydrogen phosphate
Also Known As: Phosphoric acid diphenyl ester, compound with 4-amino-2-chloro-benzoic acid, 4-amino-2-chlorobenzoic acid- diphenyl hydrogen phosphate(1:1), 4-amino-2-chloro-benzoic acid; diphenyl hydrogen phosphate, 4-amino-2-chlorobenzoic acid; diphenyl hydrogen phosphate
| Molecular Formula | C19H17ClNO6P |
|---|---|
| Molecular Weight | 421.05 g/mol |
| LogP | 4.8652 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.0482 |
| Heavy Atoms | 28 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 34456-75-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)OP(=O)(O)OC2=CC=CC=C2.C1=CC(=C(C=C1N)Cl)C(=O)O |
| InChIKey | KYLIYBSSTADELN-UHFFFAOYSA-N |
Product Overview
4-Amino-2-chlorobenzoic acid-diphenyl hydrogen phosphate(1:1) (CAS 34456-75-2), with molecular formula C19H17ClNO6P and molecular weight 421.05 g/mol. IUPAC: 4-amino-2-chlorobenzoic acid;diphenyl hydrogen phosphate.
Chemical Property Profile of 4-Amino-2-chlorobenzoic acid-diphenyl hydrogen phosphate(1:1)
Property Insights of 4-Amino-2-chlorobenzoic acid-diphenyl hydrogen phosphate(1:1)
The XLogP value of 4.8652 indicates that 4-Amino-2-chlorobenzoic acid-diphenyl hydrogen phosphate(1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-2-chlorobenzoic acid-diphenyl hydrogen phosphate(1:1). Following Lipinski's Rule of Five, 4-Amino-2-chlorobenzoic acid-diphenyl hydrogen phosphate(1:1) has 3 hydrogen bond donor(s) and 7 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 4-Amino-2-chlorobenzoic acid-diphenyl hydrogen phosphate(1:1)?
The CAS number of 4-Amino-2-chlorobenzoic acid-diphenyl hydrogen phosphate(1:1) is 34456-75-2.
What is the molecular formula of 4-Amino-2-chlorobenzoic acid-diphenyl hydrogen phosphate(1:1)?
The molecular formula of 4-Amino-2-chlorobenzoic acid-diphenyl hydrogen phosphate(1:1) is C19H17ClNO6P.
What is the molecular weight of 4-Amino-2-chlorobenzoic acid-diphenyl hydrogen phosphate(1:1)?
The molecular weight of 4-Amino-2-chlorobenzoic acid-diphenyl hydrogen phosphate(1:1) is 421.05 g/mol.
Where can I buy 4-Amino-2-chlorobenzoic acid-diphenyl hydrogen phosphate(1:1)?
You can request a quote for 4-Amino-2-chlorobenzoic acid-diphenyl hydrogen phosphate(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-2-chlorobenzoic acid-diphenyl hydrogen phosphate(1:1)?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-2-chlorobenzoic acid-diphenyl hydrogen phosphate(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.