BAS 09684891
TL;DR: BAS 09684891 (CAS 714278-34-9) is a chemical compound with molecular formula C19H21N5O2S2 and molecular weight 415.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Also Known As: BAS 09684891, 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide, 2-{[4-cyano-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide, 2-((4-cyano-1-morpholino-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)-N-(thiazol-2-yl)acetamide
| Molecular Formula | C19H21N5O2S2 |
|---|---|
| Molecular Weight | 415.11 g/mol |
| LogP | 2.85598 |
| Topological Polar Surface Area | 91.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.11368 |
| Heavy Atoms | 28 |
| Complexity | 888.71436 |
Chemical Identifiers
| CAS Number | 714278-34-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(N=C2N3CCOCC3)SCC(=O)NC4=NC=CS4)C#N |
Product Overview
BAS 09684891 (CAS 714278-34-9), with molecular formula C19H21N5O2S2 and molecular weight 415.11 g/mol. IUPAC: 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of BAS 09684891
Property Insights of BAS 09684891
The XLogP value of 2.85598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 09684891. The TPSA of 91.14 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09684891. Following Lipinski's Rule of Five, BAS 09684891 has 1 hydrogen bond donor(s) and 8 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 09684891?
The CAS number of BAS 09684891 is 714278-34-9.
What is the molecular formula of BAS 09684891?
The molecular formula of BAS 09684891 is C19H21N5O2S2.
What is the molecular weight of BAS 09684891?
The molecular weight of BAS 09684891 is 415.11 g/mol.
Where can I buy BAS 09684891?
You can request a quote for BAS 09684891 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09684891?
Yes, KEHONG BIO provides custom synthesis services for BAS 09684891 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.