![2-(benzylsulfanyl)-5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4-carboxamide structure](/static/products/835/835897-53-5.png)
2-(benzylsulfanyl)-5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4-carboxamide
TL;DR: 2-(benzylsulfanyl)-5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4-carboxamide (CAS 835897-53-5) is a chemical compound with molecular formula C22H22ClN3O3S and molecular weight 443.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4-carboxamide
Also Known As: 2-(benzylsulfanyl)-5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4-carboxamide, 2-benzylsulfanyl-5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4-carboxamide
| Molecular Formula | C22H22ClN3O3S |
|---|---|
| Molecular Weight | 443.11 g/mol |
| LogP | 4.412 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 443.10703 |
| Heavy Atoms | 30 |
| Complexity | 1002.17285 |
Chemical Identifiers
| CAS Number | 835897-53-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3)OC |
Product Overview
2-(benzylsulfanyl)-5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4-carboxamide (CAS 835897-53-5), with molecular formula C22H22ClN3O3S and molecular weight 443.11 g/mol. IUPAC: 2-benzylsulfanyl-5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4-carboxamide.
Chemical Property Profile of 2-(benzylsulfanyl)-5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4-carboxamide
Property Insights of 2-(benzylsulfanyl)-5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4-carboxamide
The XLogP value of 4.412 indicates that 2-(benzylsulfanyl)-5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(benzylsulfanyl)-5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4-carboxamide. Following Lipinski's Rule of Five, 2-(benzylsulfanyl)-5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4-carboxamide has 1 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 2-(benzylsulfanyl)-5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4-carboxamide?
The CAS number of 2-(benzylsulfanyl)-5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4-carboxamide is 835897-53-5.
What is the molecular formula of 2-(benzylsulfanyl)-5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4-carboxamide?
The molecular formula of 2-(benzylsulfanyl)-5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4-carboxamide is C22H22ClN3O3S.
What is the molecular weight of 2-(benzylsulfanyl)-5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4-carboxamide?
The molecular weight of 2-(benzylsulfanyl)-5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4-carboxamide is 443.11 g/mol.
Where can I buy 2-(benzylsulfanyl)-5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4-carboxamide?
You can request a quote for 2-(benzylsulfanyl)-5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(benzylsulfanyl)-5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylsulfanyl)-5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.