A1870/0078643
TL;DR: A1870/0078643 (CAS 5801-80-9) is a chemical compound with molecular formula C29H31N3O2S2 and molecular weight 517.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide
Also Known As: A1870/0078643, 4-tert-butyl-N-[2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide, 4-tert-Butyl-N-(2-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide, 4-TERT-BUTYL-N-[2-({[(2,4,6-TRIMETHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-1,3-BENZOTHIAZOL-6-YL]BENZAMIDE, 4-tert-butyl-N-[2-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide
| Molecular Formula | C29H31N3O2S2 |
|---|---|
| Molecular Weight | 517.19 g/mol |
| LogP | 7.50216 |
| Topological Polar Surface Area | 71.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 517.1858 |
| Heavy Atoms | 36 |
| Complexity | 1410.4243 |
Chemical Identifiers
| CAS Number | 5801-80-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)C(C)(C)C)C |
Product Overview
A1870/0078643 (CAS 5801-80-9), with molecular formula C29H31N3O2S2 and molecular weight 517.19 g/mol. IUPAC: 4-tert-butyl-N-[2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide.
Chemical Property Profile of A1870/0078643
Property Insights of A1870/0078643
The XLogP value of 7.50216 indicates that A1870/0078643 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 A1870/0078643. Following Lipinski's Rule of Five, A1870/0078643 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 A1870/0078643?
The CAS number of A1870/0078643 is 5801-80-9.
What is the molecular formula of A1870/0078643?
The molecular formula of A1870/0078643 is C29H31N3O2S2.
What is the molecular weight of A1870/0078643?
The molecular weight of A1870/0078643 is 517.19 g/mol.
Where can I buy A1870/0078643?
You can request a quote for A1870/0078643 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1870/0078643?
Yes, KEHONG BIO provides custom synthesis services for A1870/0078643 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.