BAS 01104181
TL;DR: BAS 01104181 (CAS 303134-32-9) is a chemical compound with molecular formula C16H17N3O3S and molecular weight 331.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-methyl-2-(pyrazine-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 01104181, Methyl 4,5,6,7-tetrahydro-6-methyl-2-[(2-pyrazinylcarbonyl)amino]benzo[b]thiophene-3-carboxylate, A2088/0087795, methyl 6-methyl-2-(pyrazine-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, Methyl 6-methyl-2-[(2-pyrazinylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C16H17N3O3S |
|---|---|
| Molecular Weight | 331.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.09906 |
| Heavy Atoms | 23 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 303134-32-9 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=NC=CN=C3 |
| InChIKey | RNQYAAHKVJTRTR-UHFFFAOYSA-N |
Product Overview
BAS 01104181 (CAS 303134-32-9), with molecular formula C16H17N3O3S and molecular weight 331.10 g/mol. IUPAC: methyl 6-methyl-2-(pyrazine-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 01104181
Property Insights of BAS 01104181
The XLogP value of 3.0 indicates that BAS 01104181 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01104181. Following Lipinski's Rule of Five, BAS 01104181 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 01104181?
The CAS number of BAS 01104181 is 303134-32-9.
What is the molecular formula of BAS 01104181?
The molecular formula of BAS 01104181 is C16H17N3O3S.
What is the molecular weight of BAS 01104181?
The molecular weight of BAS 01104181 is 331.10 g/mol.
Where can I buy BAS 01104181?
You can request a quote for BAS 01104181 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01104181?
Yes, KEHONG BIO provides custom synthesis services for BAS 01104181 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.