AB00094031-01
TL;DR: AB00094031-01 (CAS 353786-21-7) is a chemical compound with molecular formula C16H18N2O3S and molecular weight 318.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methylfuran-2-carboxamide
Also Known As: AB00094031-01, N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methylfuran-2-carboxamide, N-[3-(aminocarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]-5-methyl-2-furamide, 6-methyl-2-[(5-methyl(2-furyl))carbonylamino]-4,5,6,7-tetrahydrobenzo[b]thioph ene-3-carboxamide, N-(3-CARBAMOYL-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-5-METHYL-2-FURAMIDE
| Molecular Formula | C16H18N2O3S |
|---|---|
| Molecular Weight | 318.10 g/mol |
| LogP | 3.12552 |
| Topological Polar Surface Area | 85.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.10382 |
| Heavy Atoms | 22 |
| Complexity | 744.655 |
Chemical Identifiers
| CAS Number | 353786-21-7 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(O3)C |
Product Overview
AB00094031-01 (CAS 353786-21-7), with molecular formula C16H18N2O3S and molecular weight 318.10 g/mol. IUPAC: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methylfuran-2-carboxamide.
Chemical Property Profile of AB00094031-01
Property Insights of AB00094031-01
The XLogP value of 3.12552 indicates that AB00094031-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.33 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00094031-01. Following Lipinski's Rule of Five, AB00094031-01 has 2 hydrogen bond donor(s) and 4 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 AB00094031-01?
The CAS number of AB00094031-01 is 353786-21-7.
What is the molecular formula of AB00094031-01?
The molecular formula of AB00094031-01 is C16H18N2O3S.
What is the molecular weight of AB00094031-01?
The molecular weight of AB00094031-01 is 318.10 g/mol.
Where can I buy AB00094031-01?
You can request a quote for AB00094031-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00094031-01?
Yes, KEHONG BIO provides custom synthesis services for AB00094031-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.