AB00674102-01
TL;DR: AB00674102-01 (CAS 799785-41-4) is a chemical compound with molecular formula C28H23N3O3S and molecular weight 481.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N,N-diphenylacetamide
Also Known As: AB00674102-01, 2-{[3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N,N-diphenylacetamide, F1362-0132, 2-((3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N,N-diphenylacetamide, 2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N,N-diphenylacetamide
| Molecular Formula | C28H23N3O3S |
|---|---|
| Molecular Weight | 481.15 g/mol |
| LogP | 5.80678 |
| Topological Polar Surface Area | 86.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 481.14603 |
| Heavy Atoms | 35 |
| Complexity | 1299.5991 |
Chemical Identifiers
| CAS Number | 799785-41-4 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2)SCC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)C#N)C5=CC=CO5)C(=O)C1 |
Product Overview
AB00674102-01 (CAS 799785-41-4), with molecular formula C28H23N3O3S and molecular weight 481.15 g/mol. IUPAC: 2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N,N-diphenylacetamide.
Chemical Property Profile of AB00674102-01
Property Insights of AB00674102-01
The XLogP value of 5.80678 indicates that AB00674102-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.34 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00674102-01. Following Lipinski's Rule of Five, AB00674102-01 has 1 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 AB00674102-01?
The CAS number of AB00674102-01 is 799785-41-4.
What is the molecular formula of AB00674102-01?
The molecular formula of AB00674102-01 is C28H23N3O3S.
What is the molecular weight of AB00674102-01?
The molecular weight of AB00674102-01 is 481.15 g/mol.
Where can I buy AB00674102-01?
You can request a quote for AB00674102-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00674102-01?
Yes, KEHONG BIO provides custom synthesis services for AB00674102-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.