BAS 02054102
TL;DR: BAS 02054102 (CAS 315711-17-2) is a chemical compound with molecular formula C21H23N3O3S3 and molecular weight 461.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,5-dimethyl-2-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate
Also Known As: BAS 02054102, AF-399/15335180, 4,5-Dimethyl-2-[2-(5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-acetylamino]-thiophene-3-carboxylic acid ethyl, ethyl 4,5-dimethyl-2-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate, ethyl 4,5-dimethyl-2-(2-(5,6,7,8-tetrahydrobenzo[b]thiopheno[3,2-e]pyrimidin-4 -ylthio)acetylamino)thiophene-3-carboxylate
| Molecular Formula | C21H23N3O3S3 |
|---|---|
| Molecular Weight | 461.09 g/mol |
| LogP | 5.15594 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.09015 |
| Heavy Atoms | 30 |
| Complexity | 1119.8325 |
Chemical Identifiers
| CAS Number | 315711-17-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NC=NC3=C2C4=C(S3)CCCC4 |
Product Overview
BAS 02054102 (CAS 315711-17-2), with molecular formula C21H23N3O3S3 and molecular weight 461.09 g/mol. IUPAC: ethyl 4,5-dimethyl-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 02054102
Property Insights of BAS 02054102
The XLogP value of 5.15594 indicates that BAS 02054102 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02054102. Following Lipinski's Rule of Five, BAS 02054102 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02054102?
The CAS number of BAS 02054102 is 315711-17-2.
What is the molecular formula of BAS 02054102?
The molecular formula of BAS 02054102 is C21H23N3O3S3.
What is the molecular weight of BAS 02054102?
The molecular weight of BAS 02054102 is 461.09 g/mol.
Where can I buy BAS 02054102?
You can request a quote for BAS 02054102 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02054102?
Yes, KEHONG BIO provides custom synthesis services for BAS 02054102 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.