BAS 01248681
TL;DR: BAS 01248681 (CAS 332161-32-7) is a chemical compound with molecular formula C22H22N4O5S2 and molecular weight 486.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-nitro-N-[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]anilino)acetate
Also Known As: BAS 01248681, Ethyl 2-(N-(3-nitrophenyl)-2-((5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamido)acetate, {(3-Nitro-phenyl)-[2-(5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-acetyl]-amino}-acetic acid ethyl ester, ethyl 2-(3-nitro-N-[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]anilino)acetate, Ethyl2-(N-(3-nitrophenyl)-2-((5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamido)acetate
| Molecular Formula | C22H22N4O5S2 |
|---|---|
| Molecular Weight | 486.10 g/mol |
| LogP | 4.1667 |
| Topological Polar Surface Area | 115.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 486.10315 |
| Heavy Atoms | 33 |
| Complexity | 1212.7144 |
Chemical Identifiers
| CAS Number | 332161-32-7 |
|---|---|
| SMILES | CCOC(=O)CN(C1=CC(=CC=C1)[N+](=O)[O-])C(=O)CSC2=NC=NC3=C2C4=C(S3)CCCC4 |
Product Overview
BAS 01248681 (CAS 332161-32-7), with molecular formula C22H22N4O5S2 and molecular weight 486.10 g/mol. IUPAC: ethyl 2-(3-nitro-N-[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]anilino)acetate.
Chemical Property Profile of BAS 01248681
Property Insights of BAS 01248681
The XLogP value of 4.1667 indicates that BAS 01248681 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.53 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01248681. Following Lipinski's Rule of Five, BAS 01248681 has 0 hydrogen bond donor(s) and 9 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 01248681?
The CAS number of BAS 01248681 is 332161-32-7.
What is the molecular formula of BAS 01248681?
The molecular formula of BAS 01248681 is C22H22N4O5S2.
What is the molecular weight of BAS 01248681?
The molecular weight of BAS 01248681 is 486.10 g/mol.
Where can I buy BAS 01248681?
You can request a quote for BAS 01248681 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01248681?
Yes, KEHONG BIO provides custom synthesis services for BAS 01248681 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.