ChemDiv2_001125
TL;DR: ChemDiv2_001125 (CAS 445222-25-3) is a chemical compound with molecular formula C20H22N4O2S and molecular weight 382.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-cyano-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
Also Known As: ChemDiv2_001125, BAS 06900493, 2-[(3-cyano-6-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide, 2-[(3-cyano-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide, 2-[(3-cyano-6-ethyl-5,6,7,8-tetrahydro[1,6]naphthyridin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
| Molecular Formula | C20H22N4O2S |
|---|---|
| Molecular Weight | 382.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.14636 |
| Heavy Atoms | 27 |
| Complexity | 543.0 |
Chemical Identifiers
| CAS Number | 445222-25-3 |
|---|---|
| SMILES | CCN1CCC2=NC(=C(C=C2C1)C#N)SCC(=O)NC3=CC=C(C=C3)OC |
| InChIKey | JZORSUIGNQUEEN-UHFFFAOYSA-N |
Product Overview
ChemDiv2_001125 (CAS 445222-25-3), with molecular formula C20H22N4O2S and molecular weight 382.15 g/mol. IUPAC: 2-[(3-cyano-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide.
Chemical Property Profile of ChemDiv2_001125
Property Insights of ChemDiv2_001125
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_001125. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_001125. Following Lipinski's Rule of Five, ChemDiv2_001125 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 ChemDiv2_001125?
The CAS number of ChemDiv2_001125 is 445222-25-3.
What is the molecular formula of ChemDiv2_001125?
The molecular formula of ChemDiv2_001125 is C20H22N4O2S.
What is the molecular weight of ChemDiv2_001125?
The molecular weight of ChemDiv2_001125 is 382.15 g/mol.
Where can I buy ChemDiv2_001125?
You can request a quote for ChemDiv2_001125 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_001125?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_001125 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.