RefChem:138226
TL;DR: RefChem:138226 (CAS 27240-79-5) is a chemical compound with molecular formula C31H26Cl2N4O6 and molecular weight 620.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(2-benzoyloxyethyl)-4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-3-methylanilino]ethyl benzoate
Also Known As: 2,2'-[[4-[azo]-3-methylphenyl]imino]bisethanoldibenzoate, Ethanol, 2,2'-((4-((2,6-dichloro-4-nitrophenyl)azo)-3-methylphenyl)imino)bis-, dibenzoate (ester), ethanol, 2,2'-((4-((2,6-dichloro-4-nitrophenyl)azo)-3-methylphenyl)imino)bis-, dibenzoate(ester), Ethanol, 2,2'-((4-(2-(2,6-dichloro-4-nitrophenyl)diazenyl)-3-methylphenyl)imino)bis-, 1,1'-dibenzoate, Ethanol, 2,2'-[[4-[(2,6-dichloro-4-nitrophenyl)azo]-3-methylphenyl]imino]bis-, dibenzoate (ester)
| Molecular Formula | C31H26Cl2N4O6 |
|---|---|
| Molecular Weight | 620.12 g/mol |
| LogP | 8.4 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 620.1229 |
| Heavy Atoms | 43 |
| Complexity | 892.0 |
Chemical Identifiers
| CAS Number | 27240-79-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCOC(=O)C2=CC=CC=C2)CCOC(=O)C3=CC=CC=C3)N=NC4=C(C=C(C=C4Cl)[N+](=O)[O-])Cl |
| InChIKey | XWBJEMIXSKVIHY-UHFFFAOYSA-N |
Product Overview
RefChem:138226 (CAS 27240-79-5), with molecular formula C31H26Cl2N4O6 and molecular weight 620.12 g/mol. IUPAC: 2-[N-(2-benzoyloxyethyl)-4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-3-methylanilino]ethyl benzoate.
Chemical Property Profile of RefChem:138226
Property Insights of RefChem:138226
The XLogP value of 8.4 indicates that RefChem:138226 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:138226. Following Lipinski's Rule of Five, RefChem:138226 has 0 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 RefChem:138226?
The CAS number of RefChem:138226 is 27240-79-5.
What is the molecular formula of RefChem:138226?
The molecular formula of RefChem:138226 is C31H26Cl2N4O6.
What is the molecular weight of RefChem:138226?
The molecular weight of RefChem:138226 is 620.12 g/mol.
Where can I buy RefChem:138226?
You can request a quote for RefChem:138226 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:138226?
Yes, KEHONG BIO provides custom synthesis services for RefChem:138226 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.