A1404/0062761
TL;DR: A1404/0062761 (CAS 311774-56-8) is a chemical compound with molecular formula C26H25N3O2S2 and molecular weight 475.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]sulfanyl-1,3-benzothiazol-6-yl]benzamide
Also Known As: A1404/0062761, N-(2-((1-(mesitylamino)-1-oxopropan-2-yl)thio)benzo[d]thiazol-6-yl)benzamide, N-(2-{[2-(mesitylamino)-1-methyl-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide, N-[2-({1-[(2,4,6-TRIMETHYLPHENYL)CARBAMOYL]ETHYL}SULFANYL)-1,3-BENZOTHIAZOL-6-YL]BENZAMIDE, N-[2-({1-oxo-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide
| Molecular Formula | C26H25N3O2S2 |
|---|---|
| Molecular Weight | 475.14 g/mol |
| LogP | 6.59316 |
| Topological Polar Surface Area | 71.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.13882 |
| Heavy Atoms | 33 |
| Complexity | 1309.1321 |
Chemical Identifiers
| CAS Number | 311774-56-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)C(C)SC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4)C |
Product Overview
A1404/0062761 (CAS 311774-56-8), with molecular formula C26H25N3O2S2 and molecular weight 475.14 g/mol. IUPAC: N-[2-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]sulfanyl-1,3-benzothiazol-6-yl]benzamide.
Chemical Property Profile of A1404/0062761
Property Insights of A1404/0062761
The XLogP value of 6.59316 indicates that A1404/0062761 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.09 Ų falls within the moderate polarity range, balancing permeability and solubility for A1404/0062761. Following Lipinski's Rule of Five, A1404/0062761 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1404/0062761?
The CAS number of A1404/0062761 is 311774-56-8.
What is the molecular formula of A1404/0062761?
The molecular formula of A1404/0062761 is C26H25N3O2S2.
What is the molecular weight of A1404/0062761?
The molecular weight of A1404/0062761 is 475.14 g/mol.
Where can I buy A1404/0062761?
You can request a quote for A1404/0062761 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1404/0062761?
Yes, KEHONG BIO provides custom synthesis services for A1404/0062761 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.