EINECS 279-207-5
TL;DR: EINECS 279-207-5 (CAS 79641-31-9) is a chemical compound with molecular formula C27H24N2O8S and molecular weight 536.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(4-acetamido-9,10-dioxoanthracen-1-yl)amino]-4-methoxyphenyl]sulfonylethyl acetate
Also Known As: EINECS 279-207-5, 2-((3-((4-Acetamido-9,10-dihydro-9,10-dioxo-1-anthryl)amino)-4-methoxyphenyl)sulphonyl)ethyl acetate, 2-[[3-[ amino]-4-methoxyphenyl]sulphonyl]ethylacetate, 2-[3-[(4-acetamido-9,10-dioxoanthracen-1-yl)amino]-4-methoxyphenyl]sulfonylethyl acetate, 2-[[3-[(4-acetamido-9,10-dihydro-9,10-dioxo-1-anthryl)amino]-4-methoxyphenyl]sulphonyl]ethyl acetate
| Molecular Formula | C27H24N2O8S |
|---|---|
| Molecular Weight | 536.13 g/mol |
| LogP | 3.5094 |
| Topological Polar Surface Area | 144.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 536.12537 |
| Heavy Atoms | 38 |
| Complexity | 1594.551 |
Chemical Identifiers
| CAS Number | 79641-31-9 |
|---|---|
| SMILES | CC(=O)NC1=C2C(=C(C=C1)NC3=C(C=CC(=C3)S(=O)(=O)CCOC(=O)C)OC)C(=O)C4=CC=CC=C4C2=O |
Product Overview
EINECS 279-207-5 (CAS 79641-31-9), with molecular formula C27H24N2O8S and molecular weight 536.13 g/mol. IUPAC: 2-[3-[(4-acetamido-9,10-dioxoanthracen-1-yl)amino]-4-methoxyphenyl]sulfonylethyl acetate.
Chemical Property Profile of EINECS 279-207-5
Property Insights of EINECS 279-207-5
The XLogP value of 3.5094 indicates that EINECS 279-207-5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.94 Ų indicates high polarity, suggesting EINECS 279-207-5 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 279-207-5 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 279-207-5?
The CAS number of EINECS 279-207-5 is 79641-31-9.
What is the molecular formula of EINECS 279-207-5?
The molecular formula of EINECS 279-207-5 is C27H24N2O8S.
What is the molecular weight of EINECS 279-207-5?
The molecular weight of EINECS 279-207-5 is 536.13 g/mol.
Where can I buy EINECS 279-207-5?
You can request a quote for EINECS 279-207-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 279-207-5?
Yes, KEHONG BIO provides custom synthesis services for EINECS 279-207-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.