A1779/0075470
TL;DR: A1779/0075470 (CAS 330957-01-2) is a chemical compound with molecular formula C26H31N3O2S2 and molecular weight 481.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide
Also Known As: A1779/0075470, 4-tert-butyl-N-(2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide, 4-(tert-butyl)-N-(2-((2-(cyclohexylamino)-2-oxoethyl)thio)benzo[d]thiazol-6-yl)benzamide, 4-tert-butyl-N-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide, 4-TERT-BUTYL-N-(2-{[(CYCLOHEXYLCARBAMOYL)METHYL]SULFANYL}-1,3-BENZOTHIAZOL-6-YL)BENZAMIDE
| Molecular Formula | C26H31N3O2S2 |
|---|---|
| Molecular Weight | 481.19 g/mol |
| LogP | 6.3871 |
| Topological Polar Surface Area | 71.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 481.18576 |
| Heavy Atoms | 33 |
| Complexity | 1126.6396 |
Chemical Identifiers
| CAS Number | 330957-01-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4CCCCC4 |
Product Overview
A1779/0075470 (CAS 330957-01-2), with molecular formula C26H31N3O2S2 and molecular weight 481.19 g/mol. IUPAC: 4-tert-butyl-N-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide.
Chemical Property Profile of A1779/0075470
Property Insights of A1779/0075470
The XLogP value of 6.3871 indicates that A1779/0075470 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 A1779/0075470. Following Lipinski's Rule of Five, A1779/0075470 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 A1779/0075470?
The CAS number of A1779/0075470 is 330957-01-2.
What is the molecular formula of A1779/0075470?
The molecular formula of A1779/0075470 is C26H31N3O2S2.
What is the molecular weight of A1779/0075470?
The molecular weight of A1779/0075470 is 481.19 g/mol.
Where can I buy A1779/0075470?
You can request a quote for A1779/0075470 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1779/0075470?
Yes, KEHONG BIO provides custom synthesis services for A1779/0075470 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.