BAS 07415469
TL;DR: BAS 07415469 (CAS 328071-77-8) is a chemical compound with molecular formula C18H17N5S and molecular weight 335.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-2-methyl-8-(5-methylthiophen-2-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: BAS 07415469, 6-amino-2-methyl-8-(5-methylthiophen-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile, 6-amino-2-methyl-8-(5-methylthiophen-2-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile, 6-amino-2-methyl-8-(5-methyl(2-thienyl))-1,2,3,7,8,8a-hexahydroisoquinoline-5, 7,7-tricarbonitrile
| Molecular Formula | C18H17N5S |
|---|---|
| Molecular Weight | 335.12 g/mol |
| LogP | 2.41166 |
| Topological Polar Surface Area | 100.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 335.12045 |
| Heavy Atoms | 24 |
| Complexity | 856.44604 |
Chemical Identifiers
| CAS Number | 328071-77-8 |
|---|---|
| SMILES | CC1=CC=C(S1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C |
Product Overview
BAS 07415469 (CAS 328071-77-8), with molecular formula C18H17N5S and molecular weight 335.12 g/mol. IUPAC: 6-amino-2-methyl-8-(5-methylthiophen-2-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
Chemical Property Profile of BAS 07415469
Property Insights of BAS 07415469
The XLogP value of 2.41166 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07415469. The TPSA of 100.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07415469. Following Lipinski's Rule of Five, BAS 07415469 has 1 hydrogen bond donor(s) and 6 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 07415469?
The CAS number of BAS 07415469 is 328071-77-8.
What is the molecular formula of BAS 07415469?
The molecular formula of BAS 07415469 is C18H17N5S.
What is the molecular weight of BAS 07415469?
The molecular weight of BAS 07415469 is 335.12 g/mol.
Where can I buy BAS 07415469?
You can request a quote for BAS 07415469 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07415469?
Yes, KEHONG BIO provides custom synthesis services for BAS 07415469 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.