RefChem:479061
TL;DR: RefChem:479061 (CAS 52723-96-3) is a chemical compound with molecular formula C21H26N2O8 and molecular weight 434.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-methyl-3-(1-prop-2-enoyloxypropan-2-yloxycarbonylamino)phenyl]carbamoyloxy]propyl prop-2-enoate
Also Known As: 2-Propenoic acid, (4-methyl-1,3-phenylene)bis(iminocarbonyloxy(2-methyl-2,1-ethanediyl)) ester, ene-2,4-dicarbamic acid, bis(2-hydroxypropyl acrylate) ester, (4-methylbenzene-1,3-diyl)bis(carbamoyloxypropane-2,1-diyl)bisprop-2-enoate, Toluene-2,4-dicarbamic acid, bis(2-hydroxypropyl acrylate) ester, (4-methyl-1,3-phenylene)bis[iminocarbonyloxy(2-methyl-2,1-ethanediyl)] diacrylate
| Molecular Formula | C21H26N2O8 |
|---|---|
| Molecular Weight | 434.17 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 434.1689 |
| Heavy Atoms | 31 |
| Complexity | 666.0 |
Chemical Identifiers
| CAS Number | 52723-96-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)OC(C)COC(=O)C=C)NC(=O)OC(C)COC(=O)C=C |
| InChIKey | XLUSIRDIYAYDCT-UHFFFAOYSA-N |
Product Overview
RefChem:479061 (CAS 52723-96-3), with molecular formula C21H26N2O8 and molecular weight 434.17 g/mol. IUPAC: 2-[[4-methyl-3-(1-prop-2-enoyloxypropan-2-yloxycarbonylamino)phenyl]carbamoyloxy]propyl prop-2-enoate.
Chemical Property Profile of RefChem:479061
Property Insights of RefChem:479061
The XLogP value of 3.3 indicates that RefChem:479061 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 RefChem:479061. Following Lipinski's Rule of Five, RefChem:479061 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:479061?
The CAS number of RefChem:479061 is 52723-96-3.
What is the molecular formula of RefChem:479061?
The molecular formula of RefChem:479061 is C21H26N2O8.
What is the molecular weight of RefChem:479061?
The molecular weight of RefChem:479061 is 434.17 g/mol.
Where can I buy RefChem:479061?
You can request a quote for RefChem:479061 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:479061?
Yes, KEHONG BIO provides custom synthesis services for RefChem:479061 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.