ChemDiv1_022343
TL;DR: ChemDiv1_022343 (CAS 398998-89-5) is a chemical compound with molecular formula C29H30N4O5S3 and molecular weight 610.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-[[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
Also Known As: ChemDiv1_022343, ethyl 4-((4-((3-(benzo[d]thiazol-2-yl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate, F0834-0525, ethyl 4-(4-{[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}benzenesulfonyl)piperazine-1-carboxylate, ethyl 4-[4-[[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
| Molecular Formula | C29H30N4O5S3 |
|---|---|
| Molecular Weight | 610.14 g/mol |
| LogP | 5.6187 |
| Topological Polar Surface Area | 108.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 610.1378 |
| Heavy Atoms | 41 |
| Complexity | 1670.8651 |
Chemical Identifiers
| CAS Number | 398998-89-5 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C5=NC6=CC=CC=C6S5 |
Product Overview
ChemDiv1_022343 (CAS 398998-89-5), with molecular formula C29H30N4O5S3 and molecular weight 610.14 g/mol. IUPAC: ethyl 4-[4-[[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate.
Chemical Property Profile of ChemDiv1_022343
Property Insights of ChemDiv1_022343
The XLogP value of 5.6187 indicates that ChemDiv1_022343 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.91 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_022343. Following Lipinski's Rule of Five, ChemDiv1_022343 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 ChemDiv1_022343?
The CAS number of ChemDiv1_022343 is 398998-89-5.
What is the molecular formula of ChemDiv1_022343?
The molecular formula of ChemDiv1_022343 is C29H30N4O5S3.
What is the molecular weight of ChemDiv1_022343?
The molecular weight of ChemDiv1_022343 is 610.14 g/mol.
Where can I buy ChemDiv1_022343?
You can request a quote for ChemDiv1_022343 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022343?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022343 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.