BAS 02054074
TL;DR: BAS 02054074 (CAS 315681-95-9) is a chemical compound with molecular formula C21H21N3O3S2 and molecular weight 427.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]amino]benzoate
Also Known As: BAS 02054074, F0825-0216, AF-399/15128386, ethyl 4-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]amino]benzoate, ethyl 4-(2-((5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamido)benzoate
| Molecular Formula | C21H21N3O3S2 |
|---|---|
| Molecular Weight | 427.10 g/mol |
| LogP | 4.4776 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.10245 |
| Heavy Atoms | 29 |
| Complexity | 1047.256 |
Chemical Identifiers
| CAS Number | 315681-95-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2C4=C(S3)CCCC4 |
Product Overview
BAS 02054074 (CAS 315681-95-9), with molecular formula C21H21N3O3S2 and molecular weight 427.10 g/mol. IUPAC: ethyl 4-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]amino]benzoate.
Chemical Property Profile of BAS 02054074
Property Insights of BAS 02054074
The XLogP value of 4.4776 indicates that BAS 02054074 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 02054074. Following Lipinski's Rule of Five, BAS 02054074 has 1 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 02054074?
The CAS number of BAS 02054074 is 315681-95-9.
What is the molecular formula of BAS 02054074?
The molecular formula of BAS 02054074 is C21H21N3O3S2.
What is the molecular weight of BAS 02054074?
The molecular weight of BAS 02054074 is 427.10 g/mol.
Where can I buy BAS 02054074?
You can request a quote for BAS 02054074 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02054074?
Yes, KEHONG BIO provides custom synthesis services for BAS 02054074 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.