BAS 06899699
TL;DR: BAS 06899699 (CAS 459147-98-9) is a chemical compound with molecular formula C21H19N5O2 and molecular weight 373.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(8S,8aR)-6-amino-5,7,7-tricyano-2-methyl-1,3,8,8a-tetrahydroisoquinolin-8-yl]benzoate
Also Known As: BAS 06899699, AM-807/13614244, methyl 4-(6-amino-5,7,7-tricyano-2-methyl-1,2,3,7,8,8a-hexahydro-8-isoquinolinyl)benzoate, methyl 4-[(8S,8aR)-6-amino-5,7,7-tricyano-2-methyl-1,3,8,8a-tetrahydroisoquinolin-8-yl]benzoate, methyl 4-((8S,8aR)-6-amino-5,7,7-tricyano-2-methyl-1,2,3,7,8,8a-hexahydroisoquinolin-8-yl)benzoate
| Molecular Formula | C21H19N5O2 |
|---|---|
| Molecular Weight | 373.15 g/mol |
| LogP | 1.82834 |
| Topological Polar Surface Area | 126.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 373.15387 |
| Heavy Atoms | 28 |
| Complexity | 987.20715 |
Chemical Identifiers
| CAS Number | 459147-98-9 |
|---|---|
| SMILES | CN1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)C(=O)OC |
Product Overview
BAS 06899699 (CAS 459147-98-9), with molecular formula C21H19N5O2 and molecular weight 373.15 g/mol. IUPAC: methyl 4-[(8S,8aR)-6-amino-5,7,7-tricyano-2-methyl-1,3,8,8a-tetrahydroisoquinolin-8-yl]benzoate.
Chemical Property Profile of BAS 06899699
Property Insights of BAS 06899699
The XLogP value of 1.82834 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 06899699. The TPSA of 126.93 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06899699. Following Lipinski's Rule of Five, BAS 06899699 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 06899699?
The CAS number of BAS 06899699 is 459147-98-9.
What is the molecular formula of BAS 06899699?
The molecular formula of BAS 06899699 is C21H19N5O2.
What is the molecular weight of BAS 06899699?
The molecular weight of BAS 06899699 is 373.15 g/mol.
Where can I buy BAS 06899699?
You can request a quote for BAS 06899699 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06899699?
Yes, KEHONG BIO provides custom synthesis services for BAS 06899699 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.