BAS 06899912
TL;DR: BAS 06899912 (CAS 370573-77-6) is a chemical compound with molecular formula C22H25N3O3S and molecular weight 411.16 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-ethyl-5-methylpyridine-3-carbonitrile
Also Known As: BAS 06899912, AM-807/14147710, 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-6-ethyl-5-methylpyridine-3-carbonitrile, 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-6-ethyl-5-methyl-3-pyridinecarbonitrile, 2-((2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-ethyl-5-methylnicotinonitrile
| Molecular Formula | C22H25N3O3S |
|---|---|
| Molecular Weight | 411.16 g/mol |
| LogP | 3.5183 |
| Topological Polar Surface Area | 75.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.16165 |
| Heavy Atoms | 29 |
| Complexity | 968.7504 |
Chemical Identifiers
| CAS Number | 370573-77-6 |
|---|---|
| SMILES | CCC1=NC(=C(C=C1C)C#N)SCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC |
Product Overview
BAS 06899912 (CAS 370573-77-6), with molecular formula C22H25N3O3S and molecular weight 411.16 g/mol. IUPAC: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-6-ethyl-5-methylpyridine-3-carbonitrile.
Chemical Property Profile of BAS 06899912
Property Insights of BAS 06899912
The XLogP value of 3.5183 indicates that BAS 06899912 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 06899912. Following Lipinski's Rule of Five, BAS 06899912 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 06899912?
The CAS number of BAS 06899912 is 370573-77-6.
What is the molecular formula of BAS 06899912?
The molecular formula of BAS 06899912 is C22H25N3O3S.
What is the molecular weight of BAS 06899912?
The molecular weight of BAS 06899912 is 411.16 g/mol.
Where can I buy BAS 06899912?
You can request a quote for BAS 06899912 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06899912?
Yes, KEHONG BIO provides custom synthesis services for BAS 06899912 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.