Di-tert-butyl 1,3-phenylenedicarbamate
TL;DR: Di-tert-butyl 1,3-phenylenedicarbamate (CAS 59255-77-5) is a chemical compound with molecular formula C16H24N2O4 and molecular weight 308.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
Also Known As: Di-tert-butyl 1,3-phenylenedicarbamate, diethyl 1,2-phenylenedicarbamate, tert-butyl 4-ethoxyphenylcarbamate, tert-Butyl 1,3-phenylenedicarbamate, Di-tert-butyl1,3-phenylenedicarbamate
| Molecular Formula | C16H24N2O4 |
|---|---|
| Molecular Weight | 308.17 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 308.1736 |
| Heavy Atoms | 22 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 59255-77-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=CC(=CC=C1)NC(=O)OC(C)(C)C |
| InChIKey | UMIMQVCDCFYAPG-UHFFFAOYSA-N |
Product Overview
Di-tert-butyl 1,3-phenylenedicarbamate (CAS 59255-77-5), with molecular formula C16H24N2O4 and molecular weight 308.17 g/mol. IUPAC: tert-butyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate.
Chemical Property Profile of Di-tert-butyl 1,3-phenylenedicarbamate
Property Insights of Di-tert-butyl 1,3-phenylenedicarbamate
The XLogP value of 3.3 indicates that Di-tert-butyl 1,3-phenylenedicarbamate 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 Di-tert-butyl 1,3-phenylenedicarbamate. Following Lipinski's Rule of Five, Di-tert-butyl 1,3-phenylenedicarbamate 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 Di-tert-butyl 1,3-phenylenedicarbamate?
The CAS number of Di-tert-butyl 1,3-phenylenedicarbamate is 59255-77-5.
What is the molecular formula of Di-tert-butyl 1,3-phenylenedicarbamate?
The molecular formula of Di-tert-butyl 1,3-phenylenedicarbamate is C16H24N2O4.
What is the molecular weight of Di-tert-butyl 1,3-phenylenedicarbamate?
The molecular weight of Di-tert-butyl 1,3-phenylenedicarbamate is 308.17 g/mol.
Where can I buy Di-tert-butyl 1,3-phenylenedicarbamate?
You can request a quote for Di-tert-butyl 1,3-phenylenedicarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di-tert-butyl 1,3-phenylenedicarbamate?
Yes, KEHONG BIO provides custom synthesis services for Di-tert-butyl 1,3-phenylenedicarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.