3-(5-Chloro-2-methoxyphenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)thiourea
TL;DR: 3-(5-Chloro-2-methoxyphenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)thiourea (CAS 4034-69-9) is a chemical compound with molecular formula C17H17ClN4OS and molecular weight 360.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-chloro-2-methoxyphenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)thiourea
Also Known As: AB00013107-01, 3-(5-chloro-2-methoxyphenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)thiourea, 3-(5-chloro-2-methoxy-phenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)thiourea, N'-(5-Chloro-2-methoxyphenyl)-N-(2-cyanoethyl)-N-[(pyridin-3-yl)methyl]thiourea
| Molecular Formula | C17H17ClN4OS |
|---|---|
| Molecular Weight | 360.08 g/mol |
| LogP | 3.85628 |
| Topological Polar Surface Area | 61.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 360.08115 |
| Heavy Atoms | 24 |
| Complexity | 733.11554 |
Chemical Identifiers
| CAS Number | 4034-69-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)NC(=S)N(CCC#N)CC2=CN=CC=C2 |
Product Overview
3-(5-Chloro-2-methoxyphenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)thiourea (CAS 4034-69-9), with molecular formula C17H17ClN4OS and molecular weight 360.08 g/mol. IUPAC: 3-(5-chloro-2-methoxyphenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)thiourea.
Chemical Property Profile of 3-(5-Chloro-2-methoxyphenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)thiourea
Property Insights of 3-(5-Chloro-2-methoxyphenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)thiourea
The XLogP value of 3.85628 indicates that 3-(5-Chloro-2-methoxyphenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-Chloro-2-methoxyphenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)thiourea. Following Lipinski's Rule of Five, 3-(5-Chloro-2-methoxyphenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)thiourea has 1 hydrogen bond donor(s) and 4 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 3-(5-Chloro-2-methoxyphenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)thiourea?
The CAS number of 3-(5-Chloro-2-methoxyphenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)thiourea is 4034-69-9.
What is the molecular formula of 3-(5-Chloro-2-methoxyphenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)thiourea?
The molecular formula of 3-(5-Chloro-2-methoxyphenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)thiourea is C17H17ClN4OS.
What is the molecular weight of 3-(5-Chloro-2-methoxyphenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)thiourea?
The molecular weight of 3-(5-Chloro-2-methoxyphenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)thiourea is 360.08 g/mol.
Where can I buy 3-(5-Chloro-2-methoxyphenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)thiourea?
You can request a quote for 3-(5-Chloro-2-methoxyphenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-Chloro-2-methoxyphenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Chloro-2-methoxyphenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.