BAS 06899727
TL;DR: BAS 06899727 (CAS 413576-59-7) is a chemical compound with molecular formula C22H21N5O3 and molecular weight 403.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,8aR)-2-acetyl-6-amino-8-(2,5-dimethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: BAS 06899727, 2-acetyl-6-amino-8-(2,5-dimethoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile, AM-807/14146093, (8R,8aR)-2-acetyl-6-amino-8-(2,5-dimethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile, (8R,8aR)-2-acetyl-6-amino-8-(2,5-dimethoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
| Molecular Formula | C22H21N5O3 |
|---|---|
| Molecular Weight | 403.16 g/mol |
| LogP | 1.97564 |
| Topological Polar Surface Area | 136.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.16443 |
| Heavy Atoms | 30 |
| Complexity | 1069.4609 |
Chemical Identifiers
| CAS Number | 413576-59-7 |
|---|---|
| SMILES | CC(=O)N1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=C(C=CC(=C3)OC)OC |
Product Overview
BAS 06899727 (CAS 413576-59-7), with molecular formula C22H21N5O3 and molecular weight 403.16 g/mol. IUPAC: (8R,8aR)-2-acetyl-6-amino-8-(2,5-dimethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
Chemical Property Profile of BAS 06899727
Property Insights of BAS 06899727
The XLogP value of 1.97564 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 06899727. The TPSA of 136.16 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06899727. Following Lipinski's Rule of Five, BAS 06899727 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 06899727?
The CAS number of BAS 06899727 is 413576-59-7.
What is the molecular formula of BAS 06899727?
The molecular formula of BAS 06899727 is C22H21N5O3.
What is the molecular weight of BAS 06899727?
The molecular weight of BAS 06899727 is 403.16 g/mol.
Where can I buy BAS 06899727?
You can request a quote for BAS 06899727 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06899727?
Yes, KEHONG BIO provides custom synthesis services for BAS 06899727 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.