BAS 06899703
TL;DR: BAS 06899703 (CAS 1310909-47-7) is a chemical compound with molecular formula C21H18FN5O2 and molecular weight 391.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-fluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Also Known As: BAS 06899703, (8S,8aR)-ethyl 6-amino-5,7,7-tricyano-8-(4-fluorophenyl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate, ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-fluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate, ethyl 6-amino-5,7,7-tricyano-8-(4-fluorophenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate, ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-fluorophenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
| Molecular Formula | C21H18FN5O2 |
|---|---|
| Molecular Weight | 391.14 g/mol |
| LogP | 2.70754 |
| Topological Polar Surface Area | 126.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 391.14444 |
| Heavy Atoms | 29 |
| Complexity | 1009.1268 |
Chemical Identifiers
| CAS Number | 1310909-47-7 |
|---|---|
| SMILES | CCOC(=O)N1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)F |
Product Overview
BAS 06899703 (CAS 1310909-47-7), with molecular formula C21H18FN5O2 and molecular weight 391.14 g/mol. IUPAC: ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-fluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate.
Chemical Property Profile of BAS 06899703
Property Insights of BAS 06899703
The XLogP value of 2.70754 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 06899703. The TPSA of 126.93 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06899703. Following Lipinski's Rule of Five, BAS 06899703 has 1 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 06899703?
The CAS number of BAS 06899703 is 1310909-47-7.
What is the molecular formula of BAS 06899703?
The molecular formula of BAS 06899703 is C21H18FN5O2.
What is the molecular weight of BAS 06899703?
The molecular weight of BAS 06899703 is 391.14 g/mol.
Where can I buy BAS 06899703?
You can request a quote for BAS 06899703 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06899703?
Yes, KEHONG BIO provides custom synthesis services for BAS 06899703 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.