2-(8-氯甲基-1-萘硫基)乙酸
TL;DR: 2-(8-氯甲基-1-萘硫基)乙酸 (CAS 64059-42-3) is a chemical compound with molecular formula C13H11ClO2S and molecular weight 266.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(8-氯甲基-1-萘硫基)乙酸
2-[8-(chloromethyl)naphthalen-1-yl]sulfanylacetic acid
Also Known As: 2-thien-2-ylethanamine, 2-(8-Chloromethyl-1-naphthylthio)acetic acid, ACETIC ACID, 2-(8-CHLOROMETHYL-1-NAPHTHYLTHIO)-, Kyselina S-(8-chlormethyl-1-naftyl)thioglykolova, Kyselina S-(8-chlormethyl-1-naftyl)thioglykolova [Czech]
| Molecular Formula | C13H11ClO2S |
|---|---|
| Molecular Weight | 266.02 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.0168 |
| Heavy Atoms | 17 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 64059-42-3 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)CCl)C(=CC=C2)SCC(=O)O |
| InChIKey | WKKHPDZWSPRFHX-UHFFFAOYSA-N |
Product Overview
2-(8-氯甲基-1-萘硫基)乙酸 (CAS 64059-42-3), with molecular formula C13H11ClO2S and molecular weight 266.02 g/mol. IUPAC: 2-[8-(chloromethyl)naphthalen-1-yl]sulfanylacetic acid.
Chemical Property Profile of 2-(8-氯甲基-1-萘硫基)乙酸
Property Insights of 2-(8-氯甲基-1-萘硫基)乙酸
The XLogP value of 3.7 indicates that 2-(8-氯甲基-1-萘硫基)乙酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(8-氯甲基-1-萘硫基)乙酸. Following Lipinski's Rule of Five, 2-(8-氯甲基-1-萘硫基)乙酸 has 1 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 2-(8-氯甲基-1-萘硫基)乙酸?
The CAS number of 2-(8-氯甲基-1-萘硫基)乙酸 is 64059-42-3.
What is the molecular formula of 2-(8-氯甲基-1-萘硫基)乙酸?
The molecular formula of 2-(8-氯甲基-1-萘硫基)乙酸 is C13H11ClO2S.
What is the molecular weight of 2-(8-氯甲基-1-萘硫基)乙酸?
The molecular weight of 2-(8-氯甲基-1-萘硫基)乙酸 is 266.02 g/mol.
Where can I buy 2-(8-氯甲基-1-萘硫基)乙酸?
You can request a quote for 2-(8-氯甲基-1-萘硫基)乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(8-氯甲基-1-萘硫基)乙酸?
Yes, KEHONG BIO provides custom synthesis services for 2-(8-氯甲基-1-萘硫基)乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.