RefChem:293678
TL;DR: RefChem:293678 (CAS 22131-65-3) is a chemical compound with molecular formula C13H20ClN3O2S and molecular weight 317.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylpiperazin-1-yl)propyl 5-chloro-3-methyl-1,2-thiazole-4-carboxylate
Also Known As: 4-Isothiazolecarboxylic acid, 5-chloro-3-methyl-, 3-(4-methyl-1-piperazinyl)propyl ester, 5-Chloro-3-methyl-4-isothiazolecarboxylic acid 3-(4-methyl-1-piperazinyl)propyl ester, 3-(4-methylpiperazin-1-yl)propyl 5-chloro-3-methyl-1,2-thiazole-4-carboxylate, RefChem:293678
| Molecular Formula | C13H20ClN3O2S |
|---|---|
| Molecular Weight | 317.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.09647 |
| Heavy Atoms | 20 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 22131-65-3 |
|---|---|
| SMILES | CC1=NSC(=C1C(=O)OCCCN2CCN(CC2)C)Cl |
| InChIKey | CDPQBPCIYSCKCQ-UHFFFAOYSA-N |
Product Overview
RefChem:293678 (CAS 22131-65-3), with molecular formula C13H20ClN3O2S and molecular weight 317.10 g/mol. IUPAC: 3-(4-methylpiperazin-1-yl)propyl 5-chloro-3-methyl-1,2-thiazole-4-carboxylate.
Chemical Property Profile of RefChem:293678
Property Insights of RefChem:293678
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:293678. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:293678. Following Lipinski's Rule of Five, RefChem:293678 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:293678?
The CAS number of RefChem:293678 is 22131-65-3.
What is the molecular formula of RefChem:293678?
The molecular formula of RefChem:293678 is C13H20ClN3O2S.
What is the molecular weight of RefChem:293678?
The molecular weight of RefChem:293678 is 317.10 g/mol.
Where can I buy RefChem:293678?
You can request a quote for RefChem:293678 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:293678?
Yes, KEHONG BIO provides custom synthesis services for RefChem:293678 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.