BAS 00745051
TL;DR: BAS 00745051 (CAS 330952-22-2) is a chemical compound with molecular formula C21H20N2O5S2 and molecular weight 444.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[(3-methoxyphenyl)carbamoyl]-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
Also Known As: BAS 00745051, ethyl 5-[(3-methoxyanilino)carbonyl]-4-methyl-2-[(2-thienylcarbonyl)amino]-3-thiophenecarboxylate, ethyl 5-[(3-methoxyphenyl)carbamoyl]-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate, ethyl 5-((3-methoxyphenyl)carbamoyl)-4-methyl-2-(thiophene-2-carboxamido)thiophene-3-carboxylate, ETHYL 5-[(3-METHOXYPHENYL)CARBAMOYL]-4-METHYL-2-(THIOPHENE-2-AMIDO)THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C21H20N2O5S2 |
|---|---|
| Molecular Weight | 444.08 g/mol |
| LogP | 4.80792 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.08136 |
| Heavy Atoms | 30 |
| Complexity | 1073.2646 |
Chemical Identifiers
| CAS Number | 330952-22-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC(=CC=C2)OC)NC(=O)C3=CC=CS3 |
Product Overview
BAS 00745051 (CAS 330952-22-2), with molecular formula C21H20N2O5S2 and molecular weight 444.08 g/mol. IUPAC: ethyl 5-[(3-methoxyphenyl)carbamoyl]-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate.
Chemical Property Profile of BAS 00745051
Property Insights of BAS 00745051
The XLogP value of 4.80792 indicates that BAS 00745051 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00745051. Following Lipinski's Rule of Five, BAS 00745051 has 2 hydrogen bond donor(s) and 7 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 00745051?
The CAS number of BAS 00745051 is 330952-22-2.
What is the molecular formula of BAS 00745051?
The molecular formula of BAS 00745051 is C21H20N2O5S2.
What is the molecular weight of BAS 00745051?
The molecular weight of BAS 00745051 is 444.08 g/mol.
Where can I buy BAS 00745051?
You can request a quote for BAS 00745051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00745051?
Yes, KEHONG BIO provides custom synthesis services for BAS 00745051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.