BAS 01107972
TL;DR: BAS 01107972 (CAS 304013-30-7) is a chemical compound with molecular formula C24H27N5 and molecular weight 385.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-2-propan-2-yl-8-(4-propan-2-ylphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: BAS 01107972, A0510/0023656, 6-amino-2-(methylethyl)-8-[4-(methylethyl)phenyl]-1,2,3,7,8,8a-hexahydroisoqui noline-5,7,7-tricarbonitrile, 6-AMINO-2-(PROPAN-2-YL)-8-[4-(PROPAN-2-YL)PHENYL]-1,2,3,7,8,8A-HEXAHYDROISOQUINOLINE-5,7,7-TRICARBONITRILE, 6-amino-2-(propan-2-yl)-8-[4-(propan-2-yl)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
| Molecular Formula | C24H27N5 |
|---|---|
| Molecular Weight | 385.23 g/mol |
| LogP | 3.94374 |
| Topological Polar Surface Area | 100.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.22665 |
| Heavy Atoms | 29 |
| Complexity | 962.07294 |
Chemical Identifiers
| CAS Number | 304013-30-7 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(C)C |
Product Overview
BAS 01107972 (CAS 304013-30-7), with molecular formula C24H27N5 and molecular weight 385.23 g/mol. IUPAC: 6-amino-2-propan-2-yl-8-(4-propan-2-ylphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
Chemical Property Profile of BAS 01107972
Property Insights of BAS 01107972
The XLogP value of 3.94374 indicates that BAS 01107972 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 01107972. Following Lipinski's Rule of Five, BAS 01107972 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 01107972?
The CAS number of BAS 01107972 is 304013-30-7.
What is the molecular formula of BAS 01107972?
The molecular formula of BAS 01107972 is C24H27N5.
What is the molecular weight of BAS 01107972?
The molecular weight of BAS 01107972 is 385.23 g/mol.
Where can I buy BAS 01107972?
You can request a quote for BAS 01107972 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01107972?
Yes, KEHONG BIO provides custom synthesis services for BAS 01107972 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.