BAS 06899788
TL;DR: BAS 06899788 (CAS 494792-16-4) is a chemical compound with molecular formula C25H27N5O3 and molecular weight 445.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,8aR)-2-acetyl-6-amino-8-(3-ethoxy-4-propoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: BAS 06899788, AM-807/12740145, (8S,8aR)-2-acetyl-6-amino-8-(3-ethoxy-4-propoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile, (8S,8aR)-2-acetyl-6-amino-8-(3-ethoxy-4-propoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile, 2-acetyl-6-amino-8-(3-ethoxy-4-propoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
| Molecular Formula | C25H27N5O3 |
|---|---|
| Molecular Weight | 445.21 g/mol |
| LogP | 3.14594 |
| Topological Polar Surface Area | 136.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.2114 |
| Heavy Atoms | 33 |
| Complexity | 1118.1672 |
Chemical Identifiers
| CAS Number | 494792-16-4 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1)[C@@H]2[C@H]3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)C)OCC |
Product Overview
BAS 06899788 (CAS 494792-16-4), with molecular formula C25H27N5O3 and molecular weight 445.21 g/mol. IUPAC: (8S,8aR)-2-acetyl-6-amino-8-(3-ethoxy-4-propoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
Chemical Property Profile of BAS 06899788
Property Insights of BAS 06899788
The XLogP value of 3.14594 indicates that BAS 06899788 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.16 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06899788. Following Lipinski's Rule of Five, BAS 06899788 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 06899788?
The CAS number of BAS 06899788 is 494792-16-4.
What is the molecular formula of BAS 06899788?
The molecular formula of BAS 06899788 is C25H27N5O3.
What is the molecular weight of BAS 06899788?
The molecular weight of BAS 06899788 is 445.21 g/mol.
Where can I buy BAS 06899788?
You can request a quote for BAS 06899788 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06899788?
Yes, KEHONG BIO provides custom synthesis services for BAS 06899788 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.