Dibenzyl benzene-1,4-diylbiscarbamate
TL;DR: Dibenzyl benzene-1,4-diylbiscarbamate (CAS 705-05-5) is a chemical compound with molecular formula C22H20N2O4 and molecular weight 376.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[4-(phenylmethoxycarbonylamino)phenyl]carbamate
Also Known As: Rivaroxaban Impurity 63, dibenzyl benzene-1,4-diylbiscarbamate, benzyl 1,4-phenylenedicarbamate, Dibenzyl 1,4-phenylenebiscarbamate, benzyl N-[4-(phenylmethoxycarbonylamino)phenyl]carbamate
| Molecular Formula | C22H20N2O4 |
|---|---|
| Molecular Weight | 376.14 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 376.1423 |
| Heavy Atoms | 28 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 705-05-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NC2=CC=C(C=C2)NC(=O)OCC3=CC=CC=C3 |
| InChIKey | SNFCBVWYMIBEOQ-UHFFFAOYSA-N |
Product Overview
Dibenzyl benzene-1,4-diylbiscarbamate (CAS 705-05-5), with molecular formula C22H20N2O4 and molecular weight 376.14 g/mol. IUPAC: benzyl N-[4-(phenylmethoxycarbonylamino)phenyl]carbamate.
Chemical Property Profile of Dibenzyl benzene-1,4-diylbiscarbamate
Property Insights of Dibenzyl benzene-1,4-diylbiscarbamate
The XLogP value of 4.1 indicates that Dibenzyl benzene-1,4-diylbiscarbamate 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 Dibenzyl benzene-1,4-diylbiscarbamate. Following Lipinski's Rule of Five, Dibenzyl benzene-1,4-diylbiscarbamate 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 Dibenzyl benzene-1,4-diylbiscarbamate?
The CAS number of Dibenzyl benzene-1,4-diylbiscarbamate is 705-05-5.
What is the molecular formula of Dibenzyl benzene-1,4-diylbiscarbamate?
The molecular formula of Dibenzyl benzene-1,4-diylbiscarbamate is C22H20N2O4.
What is the molecular weight of Dibenzyl benzene-1,4-diylbiscarbamate?
The molecular weight of Dibenzyl benzene-1,4-diylbiscarbamate is 376.14 g/mol.
Where can I buy Dibenzyl benzene-1,4-diylbiscarbamate?
You can request a quote for Dibenzyl benzene-1,4-diylbiscarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzyl benzene-1,4-diylbiscarbamate?
Yes, KEHONG BIO provides custom synthesis services for Dibenzyl benzene-1,4-diylbiscarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.