BAS 06900581
TL;DR: BAS 06900581 (CAS 494792-80-2) is a chemical compound with molecular formula C21H17F2N5O2 and molecular weight 409.14 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-(2,4-difluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Also Known As: BAS 06900581, AM-807/14146096, ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2,4-difluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate, (8R,8aR)-ethyl 6-amino-5,7,7-tricyano-8-(2,4-difluorophenyl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate, ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2,4-difluorophenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
| Molecular Formula | C21H17F2N5O2 |
|---|---|
| Molecular Weight | 409.14 g/mol |
| LogP | 2.84664 |
| Topological Polar Surface Area | 126.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 409.13504 |
| Heavy Atoms | 30 |
| Complexity | 1076.0847 |
Chemical Identifiers
| CAS Number | 494792-80-2 |
|---|---|
| SMILES | CCOC(=O)N1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=C(C=C(C=C3)F)F |
Product Overview
BAS 06900581 (CAS 494792-80-2), with molecular formula C21H17F2N5O2 and molecular weight 409.14 g/mol. IUPAC: ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2,4-difluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate.
Chemical Property Profile of BAS 06900581
Property Insights of BAS 06900581
The XLogP value of 2.84664 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 06900581. The TPSA of 126.93 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06900581. Following Lipinski's Rule of Five, BAS 06900581 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 06900581?
The CAS number of BAS 06900581 is 494792-80-2.
What is the molecular formula of BAS 06900581?
The molecular formula of BAS 06900581 is C21H17F2N5O2.
What is the molecular weight of BAS 06900581?
The molecular weight of BAS 06900581 is 409.14 g/mol.
Where can I buy BAS 06900581?
You can request a quote for BAS 06900581 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06900581?
Yes, KEHONG BIO provides custom synthesis services for BAS 06900581 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.