RefChem:463071
TL;DR: RefChem:463071 (CAS 311797-48-5) is a chemical compound with molecular formula C27H26N4OS2 and molecular weight 486.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: Salor-int l223255-1ea, A1702/0072478, 2-Amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(4-(methylthio)phenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-AMINO-1-(3-CYANO-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA(B)THIEN-2-YL)-4-(4-(METHYLSULFANYL)PHENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRI LE, 2-Amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[B]thien-2-YL)-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitri LE
| Molecular Formula | C27H26N4OS2 |
|---|---|
| Molecular Weight | 486.15 g/mol |
| LogP | 5.91536 |
| Topological Polar Surface Area | 93.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 486.15482 |
| Heavy Atoms | 34 |
| Complexity | 1303.8206 |
Chemical Identifiers
| CAS Number | 311797-48-5 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C5=C(S4)CCCCC5)C#N)N)C#N |
Product Overview
RefChem:463071 (CAS 311797-48-5), with molecular formula C27H26N4OS2 and molecular weight 486.15 g/mol. IUPAC: 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of RefChem:463071
Property Insights of RefChem:463071
The XLogP value of 5.91536 indicates that RefChem:463071 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.91 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:463071. Following Lipinski's Rule of Five, RefChem:463071 has 1 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 RefChem:463071?
The CAS number of RefChem:463071 is 311797-48-5.
What is the molecular formula of RefChem:463071?
The molecular formula of RefChem:463071 is C27H26N4OS2.
What is the molecular weight of RefChem:463071?
The molecular weight of RefChem:463071 is 486.15 g/mol.
Where can I buy RefChem:463071?
You can request a quote for RefChem:463071 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:463071?
Yes, KEHONG BIO provides custom synthesis services for RefChem:463071 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.