BAS 07417546
TL;DR: BAS 07417546 (CAS 304013-39-6) is a chemical compound with molecular formula C23H24N6O2 and molecular weight 416.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(8S,8aR)-6-amino-5,7,7-tricyano-2-propyl-1,3,8,8a-tetrahydroisoquinolin-8-yl]phenoxy]acetamide
Also Known As: BAS 07417546, 2-[4-(6-amino-5,7,7-tricyano-2-propyl-1,2,3,7,8,8a-hexahydroisoquinolin-8-yl)phenoxy]acetamide, AM-807/13614231, 2-[4-[(8S,8aR)-6-amino-5,7,7-tricyano-2-propyl-1,3,8,8a-tetrahydroisoquinolin-8-yl]phenoxy]acetamide, 2-(4-((8S,8aR)-6-amino-5,7,7-tricyano-2-propyl-1,2,3,7,8,8a-hexahydroisoquinolin-8-yl)phenoxy)acetamide
| Molecular Formula | C23H24N6O2 |
|---|---|
| Molecular Weight | 416.20 g/mol |
| LogP | 1.68604 |
| Topological Polar Surface Area | 152.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.19608 |
| Heavy Atoms | 31 |
| Complexity | 1037.5132 |
Chemical Identifiers
| CAS Number | 304013-39-6 |
|---|---|
| SMILES | CCCN1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)OCC(=O)N |
Product Overview
BAS 07417546 (CAS 304013-39-6), with molecular formula C23H24N6O2 and molecular weight 416.20 g/mol. IUPAC: 2-[4-[(8S,8aR)-6-amino-5,7,7-tricyano-2-propyl-1,3,8,8a-tetrahydroisoquinolin-8-yl]phenoxy]acetamide.
Chemical Property Profile of BAS 07417546
Property Insights of BAS 07417546
The XLogP value of 1.68604 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07417546. The TPSA of 152.95 Ų indicates high polarity, suggesting BAS 07417546 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 07417546 has 2 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 07417546?
The CAS number of BAS 07417546 is 304013-39-6.
What is the molecular formula of BAS 07417546?
The molecular formula of BAS 07417546 is C23H24N6O2.
What is the molecular weight of BAS 07417546?
The molecular weight of BAS 07417546 is 416.20 g/mol.
Where can I buy BAS 07417546?
You can request a quote for BAS 07417546 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07417546?
Yes, KEHONG BIO provides custom synthesis services for BAS 07417546 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.