BAS 02054101
TL;DR: BAS 02054101 (CAS 338424-39-8) is a chemical compound with molecular formula C22H23N3O4S3 and molecular weight 489.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-acetyl-4-methyl-2-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate
Also Known As: BAS 02054101, Ethyl 5-acetyl-4-methyl-2-[[2-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-3-thiophenecarboxylate, 5-Acetyl-4-methyl-2-[2-(5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-acetylamino]-thiophene-3-carboxylic acid ethyl, ethyl 5-acetyl-4-methyl-2-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate
| Molecular Formula | C22H23N3O4S3 |
|---|---|
| Molecular Weight | 489.09 g/mol |
| LogP | 5.05012 |
| Topological Polar Surface Area | 98.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.08508 |
| Heavy Atoms | 32 |
| Complexity | 1214.9384 |
Chemical Identifiers
| CAS Number | 338424-39-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=NC=NC3=C2C4=C(S3)CCCC4 |
Product Overview
BAS 02054101 (CAS 338424-39-8), with molecular formula C22H23N3O4S3 and molecular weight 489.09 g/mol. IUPAC: ethyl 5-acetyl-4-methyl-2-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of BAS 02054101
Property Insights of BAS 02054101
The XLogP value of 5.05012 indicates that BAS 02054101 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.25 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02054101. Following Lipinski's Rule of Five, BAS 02054101 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02054101?
The CAS number of BAS 02054101 is 338424-39-8.
What is the molecular formula of BAS 02054101?
The molecular formula of BAS 02054101 is C22H23N3O4S3.
What is the molecular weight of BAS 02054101?
The molecular weight of BAS 02054101 is 489.09 g/mol.
Where can I buy BAS 02054101?
You can request a quote for BAS 02054101 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02054101?
Yes, KEHONG BIO provides custom synthesis services for BAS 02054101 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.