J3.241.412E
TL;DR: J3.241.412E (CAS 449767-89-9) is a chemical compound with molecular formula C29H34N4O3S3 and molecular weight 582.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-[butyl(ethyl)sulfamoyl]benzamide
Also Known As: J3.241.412E, F0539-0574, N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]-4-[butyl(ethyl)sulfamoyl]benzamide, N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-[butyl(ethyl)sulfamoyl]benzamide, N-(3-(benzo[d]thiazol-2-yl)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-4-(N-butyl-N-ethylsulfamoyl)benzamide
| Molecular Formula | C29H34N4O3S3 |
|---|---|
| Molecular Weight | 582.18 g/mol |
| LogP | 6.4658 |
| Topological Polar Surface Area | 82.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 582.1793 |
| Heavy Atoms | 39 |
| Complexity | 1542.0552 |
Chemical Identifiers
| CAS Number | 449767-89-9 |
|---|---|
| SMILES | CCCCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CN(CC3)CC)C4=NC5=CC=CC=C5S4 |
Product Overview
J3.241.412E (CAS 449767-89-9), with molecular formula C29H34N4O3S3 and molecular weight 582.18 g/mol. IUPAC: N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-[butyl(ethyl)sulfamoyl]benzamide.
Chemical Property Profile of J3.241.412E
Property Insights of J3.241.412E
The XLogP value of 6.4658 indicates that J3.241.412E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.61 Ų falls within the moderate polarity range, balancing permeability and solubility for J3.241.412E. Following Lipinski's Rule of Five, J3.241.412E 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 J3.241.412E?
The CAS number of J3.241.412E is 449767-89-9.
What is the molecular formula of J3.241.412E?
The molecular formula of J3.241.412E is C29H34N4O3S3.
What is the molecular weight of J3.241.412E?
The molecular weight of J3.241.412E is 582.18 g/mol.
Where can I buy J3.241.412E?
You can request a quote for J3.241.412E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J3.241.412E?
Yes, KEHONG BIO provides custom synthesis services for J3.241.412E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.