BAS 01108738
TL;DR: BAS 01108738 (CAS 313379-48-5) 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-(2-chlorophenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: BAS 01108738, A1682/0071782, 6-amino-8-(2-chlorophenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile, 6-amino-8-(2-chlorophenyl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile, 6-AMINO-8-(2-CHLOROPHENYL)-2-PROPYL-1,2,3,7,8,8A-HEXAHYDROISOQUINOLINE-5,7,7-TRICARBONITRILE
| Molecular Formula | C21H20ClN5 |
|---|---|
| Molecular Weight | 377.14 g/mol |
| LogP | 3.47534 |
| Topological Polar Surface Area | 100.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.14072 |
| Heavy Atoms | 27 |
| Complexity | 926.54425 |
Chemical Identifiers
| CAS Number | 313379-48-5 |
|---|---|
| SMILES | CCCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3Cl |
Product Overview
BAS 01108738 (CAS 313379-48-5), with molecular formula C21H20ClN5 and molecular weight 377.14 g/mol. IUPAC: 6-amino-8-(2-chlorophenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
Chemical Property Profile of BAS 01108738
Property Insights of BAS 01108738
The XLogP value of 3.47534 indicates that BAS 01108738 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 01108738. Following Lipinski's Rule of Five, BAS 01108738 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 01108738?
The CAS number of BAS 01108738 is 313379-48-5.
What is the molecular formula of BAS 01108738?
The molecular formula of BAS 01108738 is C21H20ClN5.
What is the molecular weight of BAS 01108738?
The molecular weight of BAS 01108738 is 377.14 g/mol.
Where can I buy BAS 01108738?
You can request a quote for BAS 01108738 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01108738?
Yes, KEHONG BIO provides custom synthesis services for BAS 01108738 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.