乙二酸
TL;DR: 乙二酸 (CAS 92-21-7) is a chemical compound with molecular formula C28H26Cl2N2O8 and molecular weight 588.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙二酸
3-[4-[3-(5-chloro-2,4-dimethoxyanilino)-3-oxopropanoyl]phenyl]-N-(5-chloro-2,4-dimethoxyphenyl)-3-oxopropanamide
Also Known As: ethanedioic acid, Naphtol AS-LG, NAPHTHOL AS-LG, C.I.Azoic Coupling Component 35, KST-1B9509
| Molecular Formula | C28H26Cl2N2O8 |
|---|---|
| Molecular Weight | 588.11 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 588.1066 |
| Heavy Atoms | 40 |
| Complexity | 814.0 |
Chemical Identifiers
| CAS Number | 92-21-7 |
|---|---|
| SMILES | COC1=CC(=C(C=C1NC(=O)CC(=O)C2=CC=C(C=C2)C(=O)CC(=O)NC3=CC(=C(C=C3OC)OC)Cl)Cl)OC |
| InChIKey | RGJDBFYBXKHCEV-UHFFFAOYSA-N |
Product Overview
乙二酸 (CAS 92-21-7), with molecular formula C28H26Cl2N2O8 and molecular weight 588.11 g/mol. IUPAC: 3-[4-[3-(5-chloro-2,4-dimethoxyanilino)-3-oxopropanoyl]phenyl]-N-(5-chloro-2,4-dimethoxyphenyl)-3-oxopropanamide.
Chemical Property Profile of 乙二酸
Property Insights of 乙二酸
The XLogP value of 5.5 indicates that 乙二酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 乙二酸. Following Lipinski's Rule of Five, 乙二酸 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 乙二酸?
The CAS number of 乙二酸 is 92-21-7.
What is the molecular formula of 乙二酸?
The molecular formula of 乙二酸 is C28H26Cl2N2O8.
What is the molecular weight of 乙二酸?
The molecular weight of 乙二酸 is 588.11 g/mol.
Where can I buy 乙二酸?
You can request a quote for 乙二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙二酸?
Yes, KEHONG BIO provides custom synthesis services for 乙二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.