BAS 06900634
TL;DR: BAS 06900634 (CAS 445383-85-7) is a chemical compound with molecular formula C24H27N3O3S and molecular weight 437.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Also Known As: BAS 06900634, 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile, 2-{[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-2-oxoethyl]sulfanyl}-5H,6H,7H,8H,9H-cyclohepta[b]pyridine-3-carbonitrile, 2-{[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile, 2-((2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
| Molecular Formula | C24H27N3O3S |
|---|---|
| Molecular Weight | 437.18 g/mol |
| LogP | 3.91638 |
| Topological Polar Surface Area | 75.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.1773 |
| Heavy Atoms | 31 |
| Complexity | 1031.7052 |
Chemical Identifiers
| CAS Number | 445383-85-7 |
|---|---|
| SMILES | COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=C(C=C4CCCCCC4=N3)C#N)OC |
Product Overview
BAS 06900634 (CAS 445383-85-7), with molecular formula C24H27N3O3S and molecular weight 437.18 g/mol. IUPAC: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile.
Chemical Property Profile of BAS 06900634
Property Insights of BAS 06900634
The XLogP value of 3.91638 indicates that BAS 06900634 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.45 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06900634. Following Lipinski's Rule of Five, BAS 06900634 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 06900634?
The CAS number of BAS 06900634 is 445383-85-7.
What is the molecular formula of BAS 06900634?
The molecular formula of BAS 06900634 is C24H27N3O3S.
What is the molecular weight of BAS 06900634?
The molecular weight of BAS 06900634 is 437.18 g/mol.
Where can I buy BAS 06900634?
You can request a quote for BAS 06900634 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06900634?
Yes, KEHONG BIO provides custom synthesis services for BAS 06900634 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.