![(4-{4-[(2-Chloroethyl)sulfanyl]butanamido}phenyl)phosphonic acid structure](/static/products/6415/64157-93-3.webp)
(4-{4-[(2-Chloroethyl)sulfanyl]butanamido}phenyl)phosphonic acid
TL;DR: (4-{4-[(2-Chloroethyl)sulfanyl]butanamido}phenyl)phosphonic acid (CAS 64157-93-3) is a chemical compound with molecular formula C12H17ClNO4PS and molecular weight 337.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[4-(2-chloroethylsulfanyl)butanoylamino]phenyl]phosphonic acid
Also Known As: (4-{4-[(2-Chloroethyl)sulfanyl]butanamido}phenyl)phosphonic acid, [4-[4-(2-chloroethylsulfanyl)butanoylamino]phenyl]phosphonic acid
| Molecular Formula | C12H17ClNO4PS |
|---|---|
| Molecular Weight | 337.03 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 337.03046 |
| Heavy Atoms | 20 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 64157-93-3 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)CCCSCCCl)P(=O)(O)O |
| InChIKey | FOBPLCXYOBBQMI-UHFFFAOYSA-N |
Product Overview
(4-{4-[(2-Chloroethyl)sulfanyl]butanamido}phenyl)phosphonic acid (CAS 64157-93-3), with molecular formula C12H17ClNO4PS and molecular weight 337.03 g/mol. IUPAC: [4-[4-(2-chloroethylsulfanyl)butanoylamino]phenyl]phosphonic acid.
Chemical Property Profile of (4-{4-[(2-Chloroethyl)sulfanyl]butanamido}phenyl)phosphonic acid
Property Insights of (4-{4-[(2-Chloroethyl)sulfanyl]butanamido}phenyl)phosphonic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-{4-[(2-Chloroethyl)sulfanyl]butanamido}phenyl)phosphonic acid. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-{4-[(2-Chloroethyl)sulfanyl]butanamido}phenyl)phosphonic acid. Following Lipinski's Rule of Five, (4-{4-[(2-Chloroethyl)sulfanyl]butanamido}phenyl)phosphonic acid has 3 hydrogen bond donor(s) and 5 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-{4-[(2-Chloroethyl)sulfanyl]butanamido}phenyl)phosphonic acid?
The CAS number of (4-{4-[(2-Chloroethyl)sulfanyl]butanamido}phenyl)phosphonic acid is 64157-93-3.
What is the molecular formula of (4-{4-[(2-Chloroethyl)sulfanyl]butanamido}phenyl)phosphonic acid?
The molecular formula of (4-{4-[(2-Chloroethyl)sulfanyl]butanamido}phenyl)phosphonic acid is C12H17ClNO4PS.
What is the molecular weight of (4-{4-[(2-Chloroethyl)sulfanyl]butanamido}phenyl)phosphonic acid?
The molecular weight of (4-{4-[(2-Chloroethyl)sulfanyl]butanamido}phenyl)phosphonic acid is 337.03 g/mol.
Where can I buy (4-{4-[(2-Chloroethyl)sulfanyl]butanamido}phenyl)phosphonic acid?
You can request a quote for (4-{4-[(2-Chloroethyl)sulfanyl]butanamido}phenyl)phosphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-{4-[(2-Chloroethyl)sulfanyl]butanamido}phenyl)phosphonic acid?
Yes, KEHONG BIO provides custom synthesis services for (4-{4-[(2-Chloroethyl)sulfanyl]butanamido}phenyl)phosphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.