EINECS 262-829-6
TL;DR: EINECS 262-829-6 (CAS 61526-69-0) is a chemical compound with molecular formula C40H52ClN5O7 and molecular weight 749.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexadecyl 2-amino-4-chloro-3-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-(4-methoxyphenyl)-3-oxopropanoyl]benzoate
Also Known As: EINECS 262-829-6, Hexadecyl 4-chloro-3-(3-(4-methoxyphenyl)-1,3-dioxo-2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propyl)anthranilate, hexadecyl 2-amino-4-chloro-3-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-(4-methoxyphenyl)-3-oxopropanoyl]benzoate, hexadecyl 4-chloro-3-[3-(4-methoxyphenyl)-1,3-dioxo-2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propyl]anthranilate, 262-829-6
| Molecular Formula | C40H52ClN5O7 |
|---|---|
| Molecular Weight | 749.36 g/mol |
| LogP | 7.6229 |
| Topological Polar Surface Area | 157.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 22 |
| Exact Mass | 749.3555 |
| Heavy Atoms | 53 |
| Complexity | 1997.572 |
Chemical Identifiers
| CAS Number | 61526-69-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC(=O)C1=C(C(=C(C=C1)Cl)C(=O)C(C(=O)C2=CC=C(C=C2)OC)N3C=NC4=C3C(=O)N(C(=O)N4C)C)N |
Product Overview
EINECS 262-829-6 (CAS 61526-69-0), with molecular formula C40H52ClN5O7 and molecular weight 749.36 g/mol. IUPAC: hexadecyl 2-amino-4-chloro-3-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-(4-methoxyphenyl)-3-oxopropanoyl]benzoate.
Chemical Property Profile of EINECS 262-829-6
Property Insights of EINECS 262-829-6
The XLogP value of 7.6229 indicates that EINECS 262-829-6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 157.51 Ų indicates high polarity, suggesting EINECS 262-829-6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 262-829-6 has 1 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 262-829-6?
The CAS number of EINECS 262-829-6 is 61526-69-0.
What is the molecular formula of EINECS 262-829-6?
The molecular formula of EINECS 262-829-6 is C40H52ClN5O7.
What is the molecular weight of EINECS 262-829-6?
The molecular weight of EINECS 262-829-6 is 749.36 g/mol.
Where can I buy EINECS 262-829-6?
You can request a quote for EINECS 262-829-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 262-829-6?
Yes, KEHONG BIO provides custom synthesis services for EINECS 262-829-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.