BAS 11177906
TL;DR: BAS 11177906 (CAS 647830-10-2) is a chemical compound with molecular formula C20H18N4O3S and molecular weight 394.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-13-(2,5-dimethoxyphenyl)-6-methyl-11-oxo-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene-5-carbonitrile
Also Known As: BAS 11177906, BRD-A26492207-001-01-5, 2-amino-9-(2,5-dimethoxyphenyl)-4-methyl-7-oxo-6,7,8,9-tetrahydrothieno[2,3-b:4,5-b']dipyridine-3-carbonitrile
| Molecular Formula | C20H18N4O3S |
|---|---|
| Molecular Weight | 394.11 g/mol |
| LogP | 3.5499 |
| Topological Polar Surface Area | 110.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.10995 |
| Heavy Atoms | 28 |
| Complexity | 1162.6927 |
Chemical Identifiers
| CAS Number | 647830-10-2 |
|---|---|
| SMILES | CC1=C(C(=NC2=C1SC3=C2C(CC(=O)N3)C4=C(C=CC(=C4)OC)OC)N)C#N |
Product Overview
BAS 11177906 (CAS 647830-10-2), with molecular formula C20H18N4O3S and molecular weight 394.11 g/mol. IUPAC: 4-amino-13-(2,5-dimethoxyphenyl)-6-methyl-11-oxo-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene-5-carbonitrile.
Chemical Property Profile of BAS 11177906
Property Insights of BAS 11177906
The XLogP value of 3.5499 indicates that BAS 11177906 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.26 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11177906. Following Lipinski's Rule of Five, BAS 11177906 has 2 hydrogen bond donor(s) and 7 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 11177906?
The CAS number of BAS 11177906 is 647830-10-2.
What is the molecular formula of BAS 11177906?
The molecular formula of BAS 11177906 is C20H18N4O3S.
What is the molecular weight of BAS 11177906?
The molecular weight of BAS 11177906 is 394.11 g/mol.
Where can I buy BAS 11177906?
You can request a quote for BAS 11177906 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11177906?
Yes, KEHONG BIO provides custom synthesis services for BAS 11177906 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.