ChemDiv1_018193
TL;DR: ChemDiv1_018193 (CAS 361980-35-0) is a chemical compound with molecular formula C27H31N3O5S and molecular weight 509.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-butoxyphenyl)-2-[[5-cyano-4-(4-ethoxy-3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
Also Known As: ChemDiv1_018193, N-(3-butoxyphenyl)-2-[[5-cyano-4-(4-ethoxy-3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide, N-(3-butoxyphenyl)-2-{[3-cyano-4-(4-ethoxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide, N-(3-butoxyphenyl)-2-((3-cyano-4-(4-ethoxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide
| Molecular Formula | C27H31N3O5S |
|---|---|
| Molecular Weight | 509.20 g/mol |
| LogP | 4.98338 |
| Topological Polar Surface Area | 109.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 509.19846 |
| Heavy Atoms | 36 |
| Complexity | 1158.3384 |
Chemical Identifiers
| CAS Number | 361980-35-0 |
|---|---|
| SMILES | CCCCOC1=CC=CC(=C1)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC(=C(C=C3)OCC)OC)C#N |
Product Overview
ChemDiv1_018193 (CAS 361980-35-0), with molecular formula C27H31N3O5S and molecular weight 509.20 g/mol. IUPAC: N-(3-butoxyphenyl)-2-[[5-cyano-4-(4-ethoxy-3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide.
Chemical Property Profile of ChemDiv1_018193
Property Insights of ChemDiv1_018193
The XLogP value of 4.98338 indicates that ChemDiv1_018193 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.68 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_018193. Following Lipinski's Rule of Five, ChemDiv1_018193 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_018193?
The CAS number of ChemDiv1_018193 is 361980-35-0.
What is the molecular formula of ChemDiv1_018193?
The molecular formula of ChemDiv1_018193 is C27H31N3O5S.
What is the molecular weight of ChemDiv1_018193?
The molecular weight of ChemDiv1_018193 is 509.20 g/mol.
Where can I buy ChemDiv1_018193?
You can request a quote for ChemDiv1_018193 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_018193?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_018193 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.