BAS 06899692
TL;DR: BAS 06899692 (CAS 494792-27-7) is a chemical compound with molecular formula C21H21N5O and molecular weight 359.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,8aR)-6-amino-8-(3-hydroxyphenyl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: BAS 06899692, AM-807/12740432, (8S,8aR)-6-amino-8-(3-hydroxyphenyl)-2-isopropyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile, (8S,8aR)-6-amino-8-(3-hydroxyphenyl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile, 6-amino-8-(3-hydroxyphenyl)-2-isopropyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
| Molecular Formula | C21H21N5O |
|---|---|
| Molecular Weight | 359.17 g/mol |
| LogP | 2.52594 |
| Topological Polar Surface Area | 120.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 359.17462 |
| Heavy Atoms | 27 |
| Complexity | 940.00964 |
Chemical Identifiers
| CAS Number | 494792-27-7 |
|---|---|
| SMILES | CC(C)N1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC(=CC=C3)O |
Product Overview
BAS 06899692 (CAS 494792-27-7), with molecular formula C21H21N5O and molecular weight 359.17 g/mol. IUPAC: (8S,8aR)-6-amino-8-(3-hydroxyphenyl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
Chemical Property Profile of BAS 06899692
Property Insights of BAS 06899692
The XLogP value of 2.52594 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 06899692. The TPSA of 120.86 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06899692. Following Lipinski's Rule of Five, BAS 06899692 has 2 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 06899692?
The CAS number of BAS 06899692 is 494792-27-7.
What is the molecular formula of BAS 06899692?
The molecular formula of BAS 06899692 is C21H21N5O.
What is the molecular weight of BAS 06899692?
The molecular weight of BAS 06899692 is 359.17 g/mol.
Where can I buy BAS 06899692?
You can request a quote for BAS 06899692 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06899692?
Yes, KEHONG BIO provides custom synthesis services for BAS 06899692 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.