BAS 00795891
TL;DR: BAS 00795891 (CAS 333359-04-9) is a chemical compound with molecular formula C18H22N2O3S and molecular weight 346.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methoxyphenyl)-4,5-dimethyl-2-(2-methylpropanoylamino)thiophene-3-carboxamide
Also Known As: BAS 00795891, N-(4-methoxyphenyl)-4,5-dimethyl-2-(2-methylpropanoylamino)thiophene-3-carboxamide, 2-isobutyramido-N-(4-methoxyphenyl)-4,5-dimethylthiophene-3-carboxamide, N-(4-methoxyphenyl)-4,5-dimethyl-2-[(2-methylpropanoyl)amino]thiophene-3-carboxamide
| Molecular Formula | C18H22N2O3S |
|---|---|
| Molecular Weight | 346.14 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 95.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.1351 |
| Heavy Atoms | 24 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 333359-04-9 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)NC2=CC=C(C=C2)OC)NC(=O)C(C)C)C |
| InChIKey | FUUOKJCGSRIILH-UHFFFAOYSA-N |
Product Overview
BAS 00795891 (CAS 333359-04-9), with molecular formula C18H22N2O3S and molecular weight 346.14 g/mol. IUPAC: N-(4-methoxyphenyl)-4,5-dimethyl-2-(2-methylpropanoylamino)thiophene-3-carboxamide.
Chemical Property Profile of BAS 00795891
Property Insights of BAS 00795891
The XLogP value of 4.3 indicates that BAS 00795891 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00795891. Following Lipinski's Rule of Five, BAS 00795891 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 BAS 00795891?
The CAS number of BAS 00795891 is 333359-04-9.
What is the molecular formula of BAS 00795891?
The molecular formula of BAS 00795891 is C18H22N2O3S.
What is the molecular weight of BAS 00795891?
The molecular weight of BAS 00795891 is 346.14 g/mol.
Where can I buy BAS 00795891?
You can request a quote for BAS 00795891 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00795891?
Yes, KEHONG BIO provides custom synthesis services for BAS 00795891 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.