ChemDiv1_009388
TL;DR: ChemDiv1_009388 (CAS 383894-49-3) is a chemical compound with molecular formula C25H27N3O2S and molecular weight 433.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-cyano-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide
Also Known As: ChemDiv1_009388, 2-({3-cyano-6-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide, AO-022/40938734, 2-((3-cyano-4-(4-isopropylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(3,4-dimethylphenyl)acetamide, F1155-0062
| Molecular Formula | C25H27N3O2S |
|---|---|
| Molecular Weight | 433.18 g/mol |
| LogP | 5.13742 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.1824 |
| Heavy Atoms | 31 |
| Complexity | 1065.1649 |
Chemical Identifiers
| CAS Number | 383894-49-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC=C(C=C3)C(C)C)C#N)C |
Product Overview
ChemDiv1_009388 (CAS 383894-49-3), with molecular formula C25H27N3O2S and molecular weight 433.18 g/mol. IUPAC: 2-[[5-cyano-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide.
Chemical Property Profile of ChemDiv1_009388
Property Insights of ChemDiv1_009388
The XLogP value of 5.13742 indicates that ChemDiv1_009388 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.99 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009388. Following Lipinski's Rule of Five, ChemDiv1_009388 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_009388?
The CAS number of ChemDiv1_009388 is 383894-49-3.
What is the molecular formula of ChemDiv1_009388?
The molecular formula of ChemDiv1_009388 is C25H27N3O2S.
What is the molecular weight of ChemDiv1_009388?
The molecular weight of ChemDiv1_009388 is 433.18 g/mol.
Where can I buy ChemDiv1_009388?
You can request a quote for ChemDiv1_009388 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009388?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009388 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.