Dimethyl 4',4''-methylenedicarbanilate
TL;DR: Dimethyl 4',4''-methylenedicarbanilate (CAS 7450-63-7) is a chemical compound with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[4-[[4-(methoxycarbonylamino)phenyl]methyl]phenyl]carbamate
Also Known As: Dimethyl (methylenebis(4,1-phenylene))dicarbamate, 4,4'-bis(carbomethoxyamino)diphenylmethane, Carbamic acid, (methylenedi-4,1-phenylene)bis-, dimethyl ester, DIMETHYL 4',4''-METHYLENEDICARBANILATE, dimethyl 4,4'-methylenebis(phenylcarbamate)
| Molecular Formula | C17H18N2O4 |
|---|---|
| Molecular Weight | 314.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 314.12665 |
| Heavy Atoms | 23 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 7450-63-7 |
|---|---|
| SMILES | COC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)OC |
| InChIKey | IDMPEWXHBJHVIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 4',4''-methylenedicarbanilate (CAS 7450-63-7), with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol. IUPAC: methyl N-[4-[[4-(methoxycarbonylamino)phenyl]methyl]phenyl]carbamate.
Chemical Property Profile of Dimethyl 4',4''-methylenedicarbanilate
Property Insights of Dimethyl 4',4''-methylenedicarbanilate
The XLogP value of 3.4 indicates that Dimethyl 4',4''-methylenedicarbanilate 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 Dimethyl 4',4''-methylenedicarbanilate. Following Lipinski's Rule of Five, Dimethyl 4',4''-methylenedicarbanilate has 2 hydrogen bond donor(s) and 4 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 Dimethyl 4',4''-methylenedicarbanilate?
The CAS number of Dimethyl 4',4''-methylenedicarbanilate is 7450-63-7.
What is the molecular formula of Dimethyl 4',4''-methylenedicarbanilate?
The molecular formula of Dimethyl 4',4''-methylenedicarbanilate is C17H18N2O4.
What is the molecular weight of Dimethyl 4',4''-methylenedicarbanilate?
The molecular weight of Dimethyl 4',4''-methylenedicarbanilate is 314.13 g/mol.
Where can I buy Dimethyl 4',4''-methylenedicarbanilate?
You can request a quote for Dimethyl 4',4''-methylenedicarbanilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 4',4''-methylenedicarbanilate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 4',4''-methylenedicarbanilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.