}-N-[4-(6-methylb enzothiazol-2-yl)phenyl]acetamide structure](/static/products/5779/577987-40-7.webp)
2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-[4-(6-methylb enzothiazol-2-yl)phenyl]acetamide
TL;DR: 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-[4-(6-methylb enzothiazol-2-yl)phenyl]acetamide (CAS 577987-40-7) is a chemical compound with molecular formula C27H26N6O2S2 and molecular weight 530.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
Also Known As: 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-[4-(6-methylb enzothiazol-2-yl)phenyl]acetamide, 2-((4-amino-5-(3-isopropoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)acetamide, 2-({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide, 2-[[4-amino-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
| Molecular Formula | C27H26N6O2S2 |
|---|---|
| Molecular Weight | 530.16 g/mol |
| LogP | 5.76202 |
| Topological Polar Surface Area | 107.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 530.1559 |
| Heavy Atoms | 37 |
| Complexity | 1559.2328 |
Chemical Identifiers
| CAS Number | 577987-40-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CSC4=NN=C(N4N)C5=CC(=CC=C5)OC(C)C |
Product Overview
2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-[4-(6-methylb enzothiazol-2-yl)phenyl]acetamide (CAS 577987-40-7), with molecular formula C27H26N6O2S2 and molecular weight 530.16 g/mol. IUPAC: 2-[[4-amino-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide.
Chemical Property Profile of 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-[4-(6-methylb enzothiazol-2-yl)phenyl]acetamide
Property Insights of 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-[4-(6-methylb enzothiazol-2-yl)phenyl]acetamide
The XLogP value of 5.76202 indicates that 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-[4-(6-methylb enzothiazol-2-yl)phenyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-[4-(6-methylb enzothiazol-2-yl)phenyl]acetamide. Following Lipinski's Rule of Five, 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-[4-(6-methylb enzothiazol-2-yl)phenyl]acetamide has 2 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 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-[4-(6-methylb enzothiazol-2-yl)phenyl]acetamide?
The CAS number of 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-[4-(6-methylb enzothiazol-2-yl)phenyl]acetamide is 577987-40-7.
What is the molecular formula of 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-[4-(6-methylb enzothiazol-2-yl)phenyl]acetamide?
The molecular formula of 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-[4-(6-methylb enzothiazol-2-yl)phenyl]acetamide is C27H26N6O2S2.
What is the molecular weight of 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-[4-(6-methylb enzothiazol-2-yl)phenyl]acetamide?
The molecular weight of 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-[4-(6-methylb enzothiazol-2-yl)phenyl]acetamide is 530.16 g/mol.
Where can I buy 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-[4-(6-methylb enzothiazol-2-yl)phenyl]acetamide?
You can request a quote for 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-[4-(6-methylb enzothiazol-2-yl)phenyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-[4-(6-methylb enzothiazol-2-yl)phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-[4-(6-methylb enzothiazol-2-yl)phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.