BAS 01181147
TL;DR: BAS 01181147 (CAS 309286-87-1) is a chemical compound with molecular formula C22H21NO3S2 and molecular weight 411.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-methylphenyl)-2-[(2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate
Also Known As: BAS 01181147, ethyl 4-(4-methylphenyl)-2-{[(phenylsulfanyl)acetyl]amino}-3-thiophenecarboxylate, AE-848/13008321, A2137/0089708, ethyl 4-(4-methylphenyl)-2-[(2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate
| Molecular Formula | C22H21NO3S2 |
|---|---|
| Molecular Weight | 411.10 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 411.09628 |
| Heavy Atoms | 28 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 309286-87-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)CSC3=CC=CC=C3 |
| InChIKey | MNSFZKPYBAKFRP-UHFFFAOYSA-N |
Product Overview
BAS 01181147 (CAS 309286-87-1), with molecular formula C22H21NO3S2 and molecular weight 411.10 g/mol. IUPAC: ethyl 4-(4-methylphenyl)-2-[(2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of BAS 01181147
Property Insights of BAS 01181147
The XLogP value of 6.1 indicates that BAS 01181147 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 01181147. Following Lipinski's Rule of Five, BAS 01181147 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01181147?
The CAS number of BAS 01181147 is 309286-87-1.
What is the molecular formula of BAS 01181147?
The molecular formula of BAS 01181147 is C22H21NO3S2.
What is the molecular weight of BAS 01181147?
The molecular weight of BAS 01181147 is 411.10 g/mol.
Where can I buy BAS 01181147?
You can request a quote for BAS 01181147 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01181147?
Yes, KEHONG BIO provides custom synthesis services for BAS 01181147 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.