AB00093847-01
TL;DR: AB00093847-01 (CAS 352679-61-9) is a chemical compound with molecular formula C15H15N3O3S and molecular weight 317.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(pyrazine-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AB00093847-01, methyl 2-(pyrazine-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[(2-pyrazinylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[(pyrazin-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(pyrazine-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C15H15N3O3S |
|---|---|
| Molecular Weight | 317.08 g/mol |
| LogP | 2.4558 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.0834 |
| Heavy Atoms | 22 |
| Complexity | 712.3228 |
Chemical Identifiers
| CAS Number | 352679-61-9 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NC=CN=C3 |
Product Overview
AB00093847-01 (CAS 352679-61-9), with molecular formula C15H15N3O3S and molecular weight 317.08 g/mol. IUPAC: methyl 2-(pyrazine-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AB00093847-01
Property Insights of AB00093847-01
The XLogP value of 2.4558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00093847-01. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00093847-01. Following Lipinski's Rule of Five, AB00093847-01 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 AB00093847-01?
The CAS number of AB00093847-01 is 352679-61-9.
What is the molecular formula of AB00093847-01?
The molecular formula of AB00093847-01 is C15H15N3O3S.
What is the molecular weight of AB00093847-01?
The molecular weight of AB00093847-01 is 317.08 g/mol.
Where can I buy AB00093847-01?
You can request a quote for AB00093847-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00093847-01?
Yes, KEHONG BIO provides custom synthesis services for AB00093847-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.