RefChem:384611
TL;DR: RefChem:384611 (CAS 71013-48-4) is a chemical compound with molecular formula C20H13ClN2O4S and molecular weight 412.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-1,3-thiazol-5-yl]acetate
Also Known As: 4-2-5-thiazoleaceticacidmethylester, 4- -2- -5-thiazoleaceticacidmethylester, 2-Phthalimido-4-p-chlorophenylthiazole-5-acetic acid methyl ester, Thiazole-5-acetic acid, 4-(p-chlorophenyl)-2-(1,3-dioxo-2-isoindolyl)-, methyl ester, Methyl ester of 2-phthalimido-4-p-chlorophenylthiazole-5-acetic acid
| Molecular Formula | C20H13ClN2O4S |
|---|---|
| Molecular Weight | 412.03 g/mol |
| LogP | 3.9796 |
| Topological Polar Surface Area | 76.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.02844 |
| Heavy Atoms | 28 |
| Complexity | 1072.6484 |
Chemical Identifiers
| CAS Number | 71013-48-4 |
|---|---|
| SMILES | COC(=O)CC1=C(N=C(S1)N2C(=O)C3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl |
Product Overview
RefChem:384611 (CAS 71013-48-4), with molecular formula C20H13ClN2O4S and molecular weight 412.03 g/mol. IUPAC: methyl 2-[4-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-1,3-thiazol-5-yl]acetate.
Chemical Property Profile of RefChem:384611
Property Insights of RefChem:384611
The XLogP value of 3.9796 indicates that RefChem:384611 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.57 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:384611. Following Lipinski's Rule of Five, RefChem:384611 has 0 hydrogen bond donor(s) and 6 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 RefChem:384611?
The CAS number of RefChem:384611 is 71013-48-4.
What is the molecular formula of RefChem:384611?
The molecular formula of RefChem:384611 is C20H13ClN2O4S.
What is the molecular weight of RefChem:384611?
The molecular weight of RefChem:384611 is 412.03 g/mol.
Where can I buy RefChem:384611?
You can request a quote for RefChem:384611 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:384611?
Yes, KEHONG BIO provides custom synthesis services for RefChem:384611 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.