3-Isothiazolecarboxylic acid, 4,5-dichloro-, pentadecyl ester
TL;DR: 3-Isothiazolecarboxylic acid, 4,5-dichloro-, pentadecyl ester (CAS 696649-38-4) is a chemical compound with molecular formula C19H31Cl2NO2S and molecular weight 407.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentadecyl 4,5-dichloro-1,2-thiazole-3-carboxylate
Also Known As: pentadecyl 4,5-dichloroisothiazole-3-carboxylate, pentadecyl 4,5-dichloro-1,2-thiazole-3-carboxylate, A3483/0147730, 3-Isothiazolecarboxylic acid, 4,5-dichloro-, pentadecyl ester, PENTADECYL 4,5-DICHLORO-3-ISOTHIAZOLECARBOXYLATE
| Molecular Formula | C19H31Cl2NO2S |
|---|---|
| Molecular Weight | 407.15 g/mol |
| LogP | 7.6979 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 407.14526 |
| Heavy Atoms | 25 |
| Complexity | 479.9892 |
Chemical Identifiers
| CAS Number | 696649-38-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCOC(=O)C1=NSC(=C1Cl)Cl |
Product Overview
3-Isothiazolecarboxylic acid, 4,5-dichloro-, pentadecyl ester (CAS 696649-38-4), with molecular formula C19H31Cl2NO2S and molecular weight 407.15 g/mol. IUPAC: pentadecyl 4,5-dichloro-1,2-thiazole-3-carboxylate.
Chemical Property Profile of 3-Isothiazolecarboxylic acid, 4,5-dichloro-, pentadecyl ester
Property Insights of 3-Isothiazolecarboxylic acid, 4,5-dichloro-, pentadecyl ester
The XLogP value of 7.6979 indicates that 3-Isothiazolecarboxylic acid, 4,5-dichloro-, pentadecyl 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-, pentadecyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isothiazolecarboxylic acid, 4,5-dichloro-, pentadecyl 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-, pentadecyl ester?
The CAS number of 3-Isothiazolecarboxylic acid, 4,5-dichloro-, pentadecyl ester is 696649-38-4.
What is the molecular formula of 3-Isothiazolecarboxylic acid, 4,5-dichloro-, pentadecyl ester?
The molecular formula of 3-Isothiazolecarboxylic acid, 4,5-dichloro-, pentadecyl ester is C19H31Cl2NO2S.
What is the molecular weight of 3-Isothiazolecarboxylic acid, 4,5-dichloro-, pentadecyl ester?
The molecular weight of 3-Isothiazolecarboxylic acid, 4,5-dichloro-, pentadecyl ester is 407.15 g/mol.
Where can I buy 3-Isothiazolecarboxylic acid, 4,5-dichloro-, pentadecyl ester?
You can request a quote for 3-Isothiazolecarboxylic acid, 4,5-dichloro-, pentadecyl 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-, pentadecyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Isothiazolecarboxylic acid, 4,5-dichloro-, pentadecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.