Diphenyl (methylenedi-4,1-phenylene)-dicarbamate
TL;DR: Diphenyl (methylenedi-4,1-phenylene)-dicarbamate (CAS 101-65-5) is a chemical compound with molecular formula C27H22N2O4 and molecular weight 438.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl N-[4-[[4-(phenoxycarbonylamino)phenyl]methyl]phenyl]carbamate
Also Known As: Diphenyl (methylenedi-4,1-phenylene)-dicarbamate, Diphenyl 4,4'-methylenebis(phenylcarbamate), Diphenyl4,4'-methylenebis(phenylcarbamate), DIPHENYL 4,4'-METHYLENEDICARBANILATE, diphenyl(methanediyldibenzene-4,1-diyl)biscarbamate
| Molecular Formula | C27H22N2O4 |
|---|---|
| Molecular Weight | 438.16 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 438.15796 |
| Heavy Atoms | 33 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 101-65-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(=O)OC4=CC=CC=C4 |
| InChIKey | LKYATCXVAUHHMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diphenyl (methylenedi-4,1-phenylene)-dicarbamate (CAS 101-65-5), with molecular formula C27H22N2O4 and molecular weight 438.16 g/mol. IUPAC: phenyl N-[4-[[4-(phenoxycarbonylamino)phenyl]methyl]phenyl]carbamate.
Chemical Property Profile of Diphenyl (methylenedi-4,1-phenylene)-dicarbamate
Property Insights of Diphenyl (methylenedi-4,1-phenylene)-dicarbamate
The XLogP value of 6.4 indicates that Diphenyl (methylenedi-4,1-phenylene)-dicarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diphenyl (methylenedi-4,1-phenylene)-dicarbamate. Following Lipinski's Rule of Five, Diphenyl (methylenedi-4,1-phenylene)-dicarbamate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diphenyl (methylenedi-4,1-phenylene)-dicarbamate?
The CAS number of Diphenyl (methylenedi-4,1-phenylene)-dicarbamate is 101-65-5.
What is the molecular formula of Diphenyl (methylenedi-4,1-phenylene)-dicarbamate?
The molecular formula of Diphenyl (methylenedi-4,1-phenylene)-dicarbamate is C27H22N2O4.
What is the molecular weight of Diphenyl (methylenedi-4,1-phenylene)-dicarbamate?
The molecular weight of Diphenyl (methylenedi-4,1-phenylene)-dicarbamate is 438.16 g/mol.
Where can I buy Diphenyl (methylenedi-4,1-phenylene)-dicarbamate?
You can request a quote for Diphenyl (methylenedi-4,1-phenylene)-dicarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diphenyl (methylenedi-4,1-phenylene)-dicarbamate?
Yes, KEHONG BIO provides custom synthesis services for Diphenyl (methylenedi-4,1-phenylene)-dicarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.