3-Isothiazolecarboxylic acid, 4,5-dichloro-, heptadecyl ester
TL;DR: 3-Isothiazolecarboxylic acid, 4,5-dichloro-, heptadecyl ester (CAS 696649-34-0) is a chemical compound with molecular formula C21H35Cl2NO2S and molecular weight 435.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptadecyl 4,5-dichloro-1,2-thiazole-3-carboxylate
Also Known As: heptadecyl 4,5-dichloroisothiazole-3-carboxylate, heptadecyl 4,5-dichloro-1,2-thiazole-3-carboxylate, A3483/0147728, 3-Isothiazolecarboxylic acid, 4,5-dichloro-, heptadecyl ester, HEPTADECYL 4,5-DICHLORO-3-ISOTHIAZOLECARBOXYLATE
| Molecular Formula | C21H35Cl2NO2S |
|---|---|
| Molecular Weight | 435.18 g/mol |
| LogP | 8.4781 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 435.17654 |
| Heavy Atoms | 27 |
| Complexity | 508.3711 |
Chemical Identifiers
| CAS Number | 696649-34-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCOC(=O)C1=NSC(=C1Cl)Cl |
Product Overview
3-Isothiazolecarboxylic acid, 4,5-dichloro-, heptadecyl ester (CAS 696649-34-0), with molecular formula C21H35Cl2NO2S and molecular weight 435.18 g/mol. IUPAC: heptadecyl 4,5-dichloro-1,2-thiazole-3-carboxylate.
Chemical Property Profile of 3-Isothiazolecarboxylic acid, 4,5-dichloro-, heptadecyl ester
Property Insights of 3-Isothiazolecarboxylic acid, 4,5-dichloro-, heptadecyl ester
The XLogP value of 8.4781 indicates that 3-Isothiazolecarboxylic acid, 4,5-dichloro-, heptadecyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, 3-Isothiazolecarboxylic acid, 4,5-dichloro-, heptadecyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isothiazolecarboxylic acid, 4,5-dichloro-, heptadecyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Isothiazolecarboxylic acid, 4,5-dichloro-, heptadecyl ester?
The CAS number of 3-Isothiazolecarboxylic acid, 4,5-dichloro-, heptadecyl ester is 696649-34-0.
What is the molecular formula of 3-Isothiazolecarboxylic acid, 4,5-dichloro-, heptadecyl ester?
The molecular formula of 3-Isothiazolecarboxylic acid, 4,5-dichloro-, heptadecyl ester is C21H35Cl2NO2S.
What is the molecular weight of 3-Isothiazolecarboxylic acid, 4,5-dichloro-, heptadecyl ester?
The molecular weight of 3-Isothiazolecarboxylic acid, 4,5-dichloro-, heptadecyl ester is 435.18 g/mol.
Where can I buy 3-Isothiazolecarboxylic acid, 4,5-dichloro-, heptadecyl ester?
You can request a quote for 3-Isothiazolecarboxylic acid, 4,5-dichloro-, heptadecyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isothiazolecarboxylic acid, 4,5-dichloro-, heptadecyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Isothiazolecarboxylic acid, 4,5-dichloro-, heptadecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.