BAS 03796816
TL;DR: BAS 03796816 (CAS 459799-95-2) is a chemical compound with molecular formula C18H22N4O2S and molecular weight 358.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide
Also Known As: BAS 03796816, N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide, 6-(tert-butyl)-2-(pyrazin-2-ylcarbonylamino)-4,5,6,7-tetrahydrobenzo[b]thiophe ne-3-carboxamide, N-[3-CARBAMOYL-6-(2-METHYL-2-PROPANYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]-2-PYRAZINECARBOXAMIDE
| Molecular Formula | C18H22N4O2S |
|---|---|
| Molecular Weight | 358.15 g/mol |
| LogP | 3.0403 |
| Topological Polar Surface Area | 97.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.14636 |
| Heavy Atoms | 25 |
| Complexity | 808.4738 |
Chemical Identifiers
| CAS Number | 459799-95-2 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=NC=CN=C3 |
Product Overview
BAS 03796816 (CAS 459799-95-2), with molecular formula C18H22N4O2S and molecular weight 358.15 g/mol. IUPAC: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide.
Chemical Property Profile of BAS 03796816
Property Insights of BAS 03796816
The XLogP value of 3.0403 indicates that BAS 03796816 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.97 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03796816. Following Lipinski's Rule of Five, BAS 03796816 has 2 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 03796816?
The CAS number of BAS 03796816 is 459799-95-2.
What is the molecular formula of BAS 03796816?
The molecular formula of BAS 03796816 is C18H22N4O2S.
What is the molecular weight of BAS 03796816?
The molecular weight of BAS 03796816 is 358.15 g/mol.
Where can I buy BAS 03796816?
You can request a quote for BAS 03796816 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03796816?
Yes, KEHONG BIO provides custom synthesis services for BAS 03796816 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.