BAS 00854104
TL;DR: BAS 00854104 (CAS 329196-04-5) is a chemical compound with molecular formula C24H22N4O5S3 and molecular weight 542.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00854104, A1897/0079670, ethyl 2-({2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-({2-[(benzo[c]1,2,5-thiadiazol-4-ylsulfonyl)amino]phenyl}carbonylamino )-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-(2-(benzo[c][1,2,5]thiadiazole-4-sulfonamido)benzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C24H22N4O5S3 |
|---|---|
| Molecular Weight | 542.08 g/mol |
| LogP | 4.8614 |
| Topological Polar Surface Area | 127.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 542.07526 |
| Heavy Atoms | 36 |
| Complexity | 1575.6195 |
Chemical Identifiers
| CAS Number | 329196-04-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=CC5=NSN=C54 |
Product Overview
BAS 00854104 (CAS 329196-04-5), with molecular formula C24H22N4O5S3 and molecular weight 542.08 g/mol. IUPAC: ethyl 2-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00854104
Property Insights of BAS 00854104
The XLogP value of 4.8614 indicates that BAS 00854104 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.35 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00854104. Following Lipinski's Rule of Five, BAS 00854104 has 2 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 00854104?
The CAS number of BAS 00854104 is 329196-04-5.
What is the molecular formula of BAS 00854104?
The molecular formula of BAS 00854104 is C24H22N4O5S3.
What is the molecular weight of BAS 00854104?
The molecular weight of BAS 00854104 is 542.08 g/mol.
Where can I buy BAS 00854104?
You can request a quote for BAS 00854104 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00854104?
Yes, KEHONG BIO provides custom synthesis services for BAS 00854104 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.