A2615/0111211
TL;DR: A2615/0111211 (CAS 381677-62-9) is a chemical compound with molecular formula C22H20N6O5S3 and molecular weight 544.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[6-[[2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate
Also Known As: A2615/0111211, ethyl ({6-[({[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetate, ethyl 2-((6-(2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzo[d]thiazol-2-yl)thio)acetate, ethyl 2-(6-{2-[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-ylthio]acetylamino}b enzothiazol-2-ylthio)acetate, ethyl 2-[[6-[[2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate
| Molecular Formula | C22H20N6O5S3 |
|---|---|
| Molecular Weight | 544.07 g/mol |
| LogP | 4.386 |
| Topological Polar Surface Area | 142.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 544.06573 |
| Heavy Atoms | 36 |
| Complexity | 1436.8253 |
Chemical Identifiers
| CAS Number | 381677-62-9 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSC3=NN=C(N3C)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
A2615/0111211 (CAS 381677-62-9), with molecular formula C22H20N6O5S3 and molecular weight 544.07 g/mol. IUPAC: ethyl 2-[[6-[[2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate.
Chemical Property Profile of A2615/0111211
Property Insights of A2615/0111211
The XLogP value of 4.386 indicates that A2615/0111211 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.14 Ų indicates high polarity, suggesting A2615/0111211 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A2615/0111211 has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2615/0111211?
The CAS number of A2615/0111211 is 381677-62-9.
What is the molecular formula of A2615/0111211?
The molecular formula of A2615/0111211 is C22H20N6O5S3.
What is the molecular weight of A2615/0111211?
The molecular weight of A2615/0111211 is 544.07 g/mol.
Where can I buy A2615/0111211?
You can request a quote for A2615/0111211 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2615/0111211?
Yes, KEHONG BIO provides custom synthesis services for A2615/0111211 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.