BAS 01108334
TL;DR: BAS 01108334 (CAS 294878-07-2) 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-ethyl-8-thiophen-3-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: BAS 01108334, 6-amino-2-ethyl-8-thiophen-3-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile, A1713/0073014, 6-amino-2-ethyl-8-(3-thienyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile, 6-AMINO-2-ETHYL-8-(THIOPHEN-3-YL)-1,2,3,7,8,8A-HEXAHYDROISOQUINOLINE-5,7,7-TRICARBONITRILE
| Molecular Formula | C18H17N5S |
|---|---|
| Molecular Weight | 335.12 g/mol |
| LogP | 2.49334 |
| Topological Polar Surface Area | 100.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.12045 |
| Heavy Atoms | 24 |
| Complexity | 814.24066 |
Chemical Identifiers
| CAS Number | 294878-07-2 |
|---|---|
| SMILES | CCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CSC=C3 |
Product Overview
BAS 01108334 (CAS 294878-07-2), with molecular formula C18H17N5S and molecular weight 335.12 g/mol. IUPAC: 6-amino-2-ethyl-8-thiophen-3-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
Chemical Property Profile of BAS 01108334
Property Insights of BAS 01108334
The XLogP value of 2.49334 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01108334. The TPSA of 100.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01108334. Following Lipinski's Rule of Five, BAS 01108334 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 01108334?
The CAS number of BAS 01108334 is 294878-07-2.
What is the molecular formula of BAS 01108334?
The molecular formula of BAS 01108334 is C18H17N5S.
What is the molecular weight of BAS 01108334?
The molecular weight of BAS 01108334 is 335.12 g/mol.
Where can I buy BAS 01108334?
You can request a quote for BAS 01108334 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01108334?
Yes, KEHONG BIO provides custom synthesis services for BAS 01108334 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.