ChemDiv3_006514
TL;DR: ChemDiv3_006514 (CAS 671200-38-7) is a chemical compound with molecular formula C27H24N2O3S and molecular weight 456.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-2-phenacylsulfanyl-6,8-dihydroquinoline-3-carbonitrile
Also Known As: ChemDiv3_006514, IDI1_024424, 4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-2-phenacylsulfanyl-6,8-dihydroquinoline-3-carbonitrile, AQ-750/42050547, BRD-K89777776-001-01-2
| Molecular Formula | C27H24N2O3S |
|---|---|
| Molecular Weight | 456.15 g/mol |
| LogP | 5.75898 |
| Topological Polar Surface Area | 80.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.15076 |
| Heavy Atoms | 33 |
| Complexity | 1259.2643 |
Chemical Identifiers
| CAS Number | 671200-38-7 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)C(=C(C(=N2)SCC(=O)C3=CC=CC=C3)C#N)C4=CC=C(C=C4)OC)C |
Product Overview
ChemDiv3_006514 (CAS 671200-38-7), with molecular formula C27H24N2O3S and molecular weight 456.15 g/mol. IUPAC: 4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-2-phenacylsulfanyl-6,8-dihydroquinoline-3-carbonitrile.
Chemical Property Profile of ChemDiv3_006514
Property Insights of ChemDiv3_006514
The XLogP value of 5.75898 indicates that ChemDiv3_006514 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.05 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_006514. Following Lipinski's Rule of Five, ChemDiv3_006514 has 0 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 ChemDiv3_006514?
The CAS number of ChemDiv3_006514 is 671200-38-7.
What is the molecular formula of ChemDiv3_006514?
The molecular formula of ChemDiv3_006514 is C27H24N2O3S.
What is the molecular weight of ChemDiv3_006514?
The molecular weight of ChemDiv3_006514 is 456.15 g/mol.
Where can I buy ChemDiv3_006514?
You can request a quote for ChemDiv3_006514 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006514?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006514 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.