BAS 06899791
TL;DR: BAS 06899791 (CAS 494792-25-5) is a chemical compound with molecular formula C23H23N5O4 and molecular weight 433.18 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-(3,5-dimethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Also Known As: BAS 06899791, AM-807/12740428, ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3,5-dimethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate, ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3,5-dimethoxyphenyl)-1,2,3,7,8,8a-hexahydroisoquinoline-2-carboxylate, ethyl 6-amino-5,7,7-tricyano-8-(3,5-dimethoxyphenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
| Molecular Formula | C23H23N5O4 |
|---|---|
| Molecular Weight | 433.18 g/mol |
| LogP | 2.58564 |
| Topological Polar Surface Area | 145.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.17502 |
| Heavy Atoms | 32 |
| Complexity | 1082.4166 |
Chemical Identifiers
| CAS Number | 494792-25-5 |
|---|---|
| SMILES | CCOC(=O)N1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC(=CC(=C3)OC)OC |
Product Overview
BAS 06899791 (CAS 494792-25-5), with molecular formula C23H23N5O4 and molecular weight 433.18 g/mol. IUPAC: ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3,5-dimethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate.
Chemical Property Profile of BAS 06899791
Property Insights of BAS 06899791
The XLogP value of 2.58564 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 06899791. The TPSA of 145.39 Ų indicates high polarity, suggesting BAS 06899791 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 06899791 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 06899791?
The CAS number of BAS 06899791 is 494792-25-5.
What is the molecular formula of BAS 06899791?
The molecular formula of BAS 06899791 is C23H23N5O4.
What is the molecular weight of BAS 06899791?
The molecular weight of BAS 06899791 is 433.18 g/mol.
Where can I buy BAS 06899791?
You can request a quote for BAS 06899791 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06899791?
Yes, KEHONG BIO provides custom synthesis services for BAS 06899791 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.