diisopropyl 5-(3-(2-(methoxycarbonyl)phenyl)ureido)isophthalate
TL;DR: diisopropyl 5-(3-(2-(methoxycarbonyl)phenyl)ureido)isophthalate (CAS 708247-54-5) is a chemical compound with molecular formula C23H26N2O7 and molecular weight 442.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipropan-2-yl 5-[(2-methoxycarbonylphenyl)carbamoylamino]benzene-1,3-dicarboxylate
Also Known As: diisopropyl 5-(3-(2-(methoxycarbonyl)phenyl)ureido)isophthalate, DIISOPROPYL 5-({[2-(METHOXYCARBONYL)ANILINO]CARBONYL}AMINO)ISOPHTHALATE, dipropan-2-yl 5-({[2-(methoxycarbonyl)phenyl]carbamoyl}amino)benzene-1,3-dicarboxylate, dipropan-2-yl 5-[(2-methoxycarbonylphenyl)carbamoylamino]benzene-1,3-dicarboxylate, methyl 2-[({3,5-bis[(methylethyl)oxycarbonyl]phenyl}amino)carbonylamino]benzoa te
| Molecular Formula | C23H26N2O7 |
|---|---|
| Molecular Weight | 442.17 g/mol |
| LogP | 4.2476 |
| Topological Polar Surface Area | 120.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.174 |
| Heavy Atoms | 32 |
| Complexity | 974.90454 |
Chemical Identifiers
| CAS Number | 708247-54-5 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC(=CC(=C1)NC(=O)NC2=CC=CC=C2C(=O)OC)C(=O)OC(C)C |
Product Overview
diisopropyl 5-(3-(2-(methoxycarbonyl)phenyl)ureido)isophthalate (CAS 708247-54-5), with molecular formula C23H26N2O7 and molecular weight 442.17 g/mol. IUPAC: dipropan-2-yl 5-[(2-methoxycarbonylphenyl)carbamoylamino]benzene-1,3-dicarboxylate.
Chemical Property Profile of diisopropyl 5-(3-(2-(methoxycarbonyl)phenyl)ureido)isophthalate
Property Insights of diisopropyl 5-(3-(2-(methoxycarbonyl)phenyl)ureido)isophthalate
The XLogP value of 4.2476 indicates that diisopropyl 5-(3-(2-(methoxycarbonyl)phenyl)ureido)isophthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.03 Ų falls within the moderate polarity range, balancing permeability and solubility for diisopropyl 5-(3-(2-(methoxycarbonyl)phenyl)ureido)isophthalate. Following Lipinski's Rule of Five, diisopropyl 5-(3-(2-(methoxycarbonyl)phenyl)ureido)isophthalate has 2 hydrogen bond donor(s) and 7 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 diisopropyl 5-(3-(2-(methoxycarbonyl)phenyl)ureido)isophthalate?
The CAS number of diisopropyl 5-(3-(2-(methoxycarbonyl)phenyl)ureido)isophthalate is 708247-54-5.
What is the molecular formula of diisopropyl 5-(3-(2-(methoxycarbonyl)phenyl)ureido)isophthalate?
The molecular formula of diisopropyl 5-(3-(2-(methoxycarbonyl)phenyl)ureido)isophthalate is C23H26N2O7.
What is the molecular weight of diisopropyl 5-(3-(2-(methoxycarbonyl)phenyl)ureido)isophthalate?
The molecular weight of diisopropyl 5-(3-(2-(methoxycarbonyl)phenyl)ureido)isophthalate is 442.17 g/mol.
Where can I buy diisopropyl 5-(3-(2-(methoxycarbonyl)phenyl)ureido)isophthalate?
You can request a quote for diisopropyl 5-(3-(2-(methoxycarbonyl)phenyl)ureido)isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diisopropyl 5-(3-(2-(methoxycarbonyl)phenyl)ureido)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for diisopropyl 5-(3-(2-(methoxycarbonyl)phenyl)ureido)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.