BAS 07415863
TL;DR: BAS 07415863 (CAS 439127-91-0) is a chemical compound with molecular formula C21H20ClN5 and molecular weight 377.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-8-(4-chlorophenyl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: BAS 07415863, 6-amino-8-(4-chlorophenyl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile, 6-amino-8-(4-chlorophenyl)-2-isopropyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile, 6-AMINO-8-(4-CHLOROPHENYL)-2-(PROPAN-2-YL)-1,2,3,7,8,8A-HEXAHYDROISOQUINOLINE-5,7,7-TRICARBONITRILE, 6-amino-8-(4-chlorophenyl)-2-isopropyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
| Molecular Formula | C21H20ClN5 |
|---|---|
| Molecular Weight | 377.14 g/mol |
| LogP | 3.47374 |
| Topological Polar Surface Area | 100.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 377.14072 |
| Heavy Atoms | 27 |
| Complexity | 922.75964 |
Chemical Identifiers
| CAS Number | 439127-91-0 |
|---|---|
| SMILES | CC(C)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)Cl |
Product Overview
BAS 07415863 (CAS 439127-91-0), with molecular formula C21H20ClN5 and molecular weight 377.14 g/mol. IUPAC: 6-amino-8-(4-chlorophenyl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
Chemical Property Profile of BAS 07415863
Property Insights of BAS 07415863
The XLogP value of 3.47374 indicates that BAS 07415863 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 07415863. Following Lipinski's Rule of Five, BAS 07415863 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 07415863?
The CAS number of BAS 07415863 is 439127-91-0.
What is the molecular formula of BAS 07415863?
The molecular formula of BAS 07415863 is C21H20ClN5.
What is the molecular weight of BAS 07415863?
The molecular weight of BAS 07415863 is 377.14 g/mol.
Where can I buy BAS 07415863?
You can request a quote for BAS 07415863 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07415863?
Yes, KEHONG BIO provides custom synthesis services for BAS 07415863 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.