RefChem:463079
TL;DR: RefChem:463079 (CAS 309720-07-8) is a chemical compound with molecular formula C27H27N5OS and molecular weight 469.19 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)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: A2206/0092868, 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-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)-7,7-DI methyl-5-oxo-4-(3-pyridinyl)-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)-7,7-DI METHYL-5-OXO-4-(3-PYRIDINYL)-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)-7,7-DIMETHYL-5-OXO-4-(3-PYRIDINYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE
| Molecular Formula | C27H27N5OS |
|---|---|
| Molecular Weight | 469.19 g/mol |
| LogP | 5.22456 |
| Topological Polar Surface Area | 106.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 469.19363 |
| Heavy Atoms | 34 |
| Complexity | 1319.2065 |
Chemical Identifiers
| CAS Number | 309720-07-8 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(N2C3=C(C4=C(S3)CCCCC4)C#N)N)C#N)C5=CN=CC=C5)C(=O)C1)C |
Product Overview
RefChem:463079 (CAS 309720-07-8), with molecular formula C27H27N5OS and molecular weight 469.19 g/mol. IUPAC: 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of RefChem:463079
Property Insights of RefChem:463079
The XLogP value of 5.22456 indicates that RefChem:463079 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:463079. Following Lipinski's Rule of Five, RefChem:463079 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:463079?
The CAS number of RefChem:463079 is 309720-07-8.
What is the molecular formula of RefChem:463079?
The molecular formula of RefChem:463079 is C27H27N5OS.
What is the molecular weight of RefChem:463079?
The molecular weight of RefChem:463079 is 469.19 g/mol.
Where can I buy RefChem:463079?
You can request a quote for RefChem:463079 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:463079?
Yes, KEHONG BIO provides custom synthesis services for RefChem:463079 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.