BAS 06899804
TL;DR: BAS 06899804 (CAS 459153-47-0) is a chemical compound with molecular formula C25H29N5 and molecular weight 399.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,8aR)-6-amino-8-(4-tert-butylphenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: BAS 06899804, 6-amino-8-(4-tert-butylphenyl)-2-propyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile, AM-807/14146073, (8S,8aR)-6-amino-8-(4-tert-butylphenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile, (8S,8aR)-6-amino-8-(4-(tert-butyl)phenyl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
| Molecular Formula | C25H29N5 |
|---|---|
| Molecular Weight | 399.24 g/mol |
| LogP | 4.11944 |
| Topological Polar Surface Area | 100.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.2423 |
| Heavy Atoms | 30 |
| Complexity | 988.08453 |
Chemical Identifiers
| CAS Number | 459153-47-0 |
|---|---|
| SMILES | CCCN1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)C(C)(C)C |
Product Overview
BAS 06899804 (CAS 459153-47-0), with molecular formula C25H29N5 and molecular weight 399.24 g/mol. IUPAC: (8S,8aR)-6-amino-8-(4-tert-butylphenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
Chemical Property Profile of BAS 06899804
Property Insights of BAS 06899804
The XLogP value of 4.11944 indicates that BAS 06899804 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06899804. Following Lipinski's Rule of Five, BAS 06899804 has 1 hydrogen bond donor(s) and 5 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 06899804?
The CAS number of BAS 06899804 is 459153-47-0.
What is the molecular formula of BAS 06899804?
The molecular formula of BAS 06899804 is C25H29N5.
What is the molecular weight of BAS 06899804?
The molecular weight of BAS 06899804 is 399.24 g/mol.
Where can I buy BAS 06899804?
You can request a quote for BAS 06899804 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06899804?
Yes, KEHONG BIO provides custom synthesis services for BAS 06899804 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.