A1183/0054746
TL;DR: A1183/0054746 (CAS 328070-00-4) is a chemical compound with molecular formula C20H14N6O6S3 and molecular weight 530.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-cyano-3-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
Also Known As: A1183/0054746, 2,2'-((4-cyanoisothiazole-3,5-diyl)bis(sulfanediyl))bis(N-(4-nitrophenyl)acetamide), 2,2'-[(4-cyano-1,2-thiazole-3,5-diyl)disulfanediyl]bis[N-(4-nitrophenyl)acetamide], 2-[[4-cyano-3-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
| Molecular Formula | C20H14N6O6S3 |
|---|---|
| Molecular Weight | 530.01 g/mol |
| LogP | 4.29278 |
| Topological Polar Surface Area | 181.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 530.0137 |
| Heavy Atoms | 35 |
| Complexity | 1211.3795 |
Chemical Identifiers
| CAS Number | 328070-00-4 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)CSC2=C(C(=NS2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C#N)[N+](=O)[O-] |
Product Overview
A1183/0054746 (CAS 328070-00-4), with molecular formula C20H14N6O6S3 and molecular weight 530.01 g/mol. IUPAC: 2-[[4-cyano-3-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-(4-nitrophenyl)acetamide.
Chemical Property Profile of A1183/0054746
Property Insights of A1183/0054746
The XLogP value of 4.29278 indicates that A1183/0054746 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 181.16 Ų indicates high polarity, suggesting A1183/0054746 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A1183/0054746 has 2 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 A1183/0054746?
The CAS number of A1183/0054746 is 328070-00-4.
What is the molecular formula of A1183/0054746?
The molecular formula of A1183/0054746 is C20H14N6O6S3.
What is the molecular weight of A1183/0054746?
The molecular weight of A1183/0054746 is 530.01 g/mol.
Where can I buy A1183/0054746?
You can request a quote for A1183/0054746 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1183/0054746?
Yes, KEHONG BIO provides custom synthesis services for A1183/0054746 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.