ChemDiv1_028522
TL;DR: ChemDiv1_028522 (CAS 370844-45-4) is a chemical compound with molecular formula C25H25N3O3S and molecular weight 447.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide
Also Known As: ChemDiv1_028522, AO-022/40937394, 2-{[3-cyano-4-(5-methyl-2-furyl)-5-oxo-1,4,5,6,7,8-hexahydro-2-quinolinyl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide, 2-[[3-cyano-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide, 2-((3-cyano-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(3,4-dimethylphenyl)acetamide
| Molecular Formula | C25H25N3O3S |
|---|---|
| Molecular Weight | 447.16 g/mol |
| LogP | 5.00584 |
| Topological Polar Surface Area | 95.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.16165 |
| Heavy Atoms | 32 |
| Complexity | 1199.2546 |
Chemical Identifiers
| CAS Number | 370844-45-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=C(O4)C)C#N)C |
Product Overview
ChemDiv1_028522 (CAS 370844-45-4), with molecular formula C25H25N3O3S and molecular weight 447.16 g/mol. IUPAC: 2-[[3-cyano-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide.
Chemical Property Profile of ChemDiv1_028522
Property Insights of ChemDiv1_028522
The XLogP value of 5.00584 indicates that ChemDiv1_028522 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028522. Following Lipinski's Rule of Five, ChemDiv1_028522 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_028522?
The CAS number of ChemDiv1_028522 is 370844-45-4.
What is the molecular formula of ChemDiv1_028522?
The molecular formula of ChemDiv1_028522 is C25H25N3O3S.
What is the molecular weight of ChemDiv1_028522?
The molecular weight of ChemDiv1_028522 is 447.16 g/mol.
Where can I buy ChemDiv1_028522?
You can request a quote for ChemDiv1_028522 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028522?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028522 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.