BAS 01916044
TL;DR: BAS 01916044 (CAS 332934-77-7) is a chemical compound with molecular formula C23H25ClN4O3S2 and molecular weight 504.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 01916044, Ethyl 2-(2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[[2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, Ethyl 2-{2-[5-(4-Chloro-phenyl)-4-ethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetylamino}-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylate
| Molecular Formula | C23H25ClN4O3S2 |
|---|---|
| Molecular Weight | 504.11 g/mol |
| LogP | 5.4662 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 504.10565 |
| Heavy Atoms | 33 |
| Complexity | 1157.4158 |
Chemical Identifiers
| CAS Number | 332934-77-7 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)C4=CC=C(C=C4)Cl |
Product Overview
BAS 01916044 (CAS 332934-77-7), with molecular formula C23H25ClN4O3S2 and molecular weight 504.11 g/mol. IUPAC: ethyl 2-[[2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 01916044
Property Insights of BAS 01916044
The XLogP value of 5.4662 indicates that BAS 01916044 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01916044. Following Lipinski's Rule of Five, BAS 01916044 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01916044?
The CAS number of BAS 01916044 is 332934-77-7.
What is the molecular formula of BAS 01916044?
The molecular formula of BAS 01916044 is C23H25ClN4O3S2.
What is the molecular weight of BAS 01916044?
The molecular weight of BAS 01916044 is 504.11 g/mol.
Where can I buy BAS 01916044?
You can request a quote for BAS 01916044 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01916044?
Yes, KEHONG BIO provides custom synthesis services for BAS 01916044 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.