BAS 06899664
TL;DR: BAS 06899664 (CAS 459155-69-2) is a chemical compound with molecular formula C22H20FN5O3 and molecular weight 421.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2-fluoro-5-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Also Known As: BAS 06899664, AM-807/13104327, ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2-fluoro-5-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate, ethyl 6-amino-5,7,7-tricyano-8-(2-fluoro-5-methoxyphenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate, (8R,8aR)-ethyl 6-amino-5,7,7-tricyano-8-(2-fluoro-5-methoxyphenyl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate
| Molecular Formula | C22H20FN5O3 |
|---|---|
| Molecular Weight | 421.16 g/mol |
| LogP | 2.71614 |
| Topological Polar Surface Area | 136.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 421.15503 |
| Heavy Atoms | 31 |
| Complexity | 1091.6139 |
Chemical Identifiers
| CAS Number | 459155-69-2 |
|---|---|
| SMILES | CCOC(=O)N1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=C(C=CC(=C3)OC)F |
Product Overview
BAS 06899664 (CAS 459155-69-2), with molecular formula C22H20FN5O3 and molecular weight 421.16 g/mol. IUPAC: ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2-fluoro-5-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate.
Chemical Property Profile of BAS 06899664
Property Insights of BAS 06899664
The XLogP value of 2.71614 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 06899664. The TPSA of 136.16 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06899664. Following Lipinski's Rule of Five, BAS 06899664 has 1 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 06899664?
The CAS number of BAS 06899664 is 459155-69-2.
What is the molecular formula of BAS 06899664?
The molecular formula of BAS 06899664 is C22H20FN5O3.
What is the molecular weight of BAS 06899664?
The molecular weight of BAS 06899664 is 421.16 g/mol.
Where can I buy BAS 06899664?
You can request a quote for BAS 06899664 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06899664?
Yes, KEHONG BIO provides custom synthesis services for BAS 06899664 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.