RefChem:463072
TL;DR: RefChem:463072 (CAS 312266-38-9) is a chemical compound with molecular formula C28H28N4O2S and molecular weight 484.19 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-ethoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(4-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, A1687/0072039, 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-4-(4-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(4-ethoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-Amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta(B)thien-2-YL)-4-(4-E thoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
| Molecular Formula | C28H28N4O2S |
|---|---|
| Molecular Weight | 484.19 g/mol |
| LogP | 5.59216 |
| Topological Polar Surface Area | 103.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 484.1933 |
| Heavy Atoms | 35 |
| Complexity | 1320.3885 |
Chemical Identifiers
| CAS Number | 312266-38-9 |
|---|---|
| SMILES | CCOC1=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:463072 (CAS 312266-38-9), with molecular formula C28H28N4O2S and molecular weight 484.19 g/mol. IUPAC: 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(4-ethoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of RefChem:463072
Property Insights of RefChem:463072
The XLogP value of 5.59216 indicates that RefChem:463072 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.14 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:463072. Following Lipinski's Rule of Five, RefChem:463072 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:463072?
The CAS number of RefChem:463072 is 312266-38-9.
What is the molecular formula of RefChem:463072?
The molecular formula of RefChem:463072 is C28H28N4O2S.
What is the molecular weight of RefChem:463072?
The molecular weight of RefChem:463072 is 484.19 g/mol.
Where can I buy RefChem:463072?
You can request a quote for RefChem:463072 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:463072?
Yes, KEHONG BIO provides custom synthesis services for RefChem:463072 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.