Didodecyl (4-methyl-1,3-phenylene)biscarbamate
TL;DR: Didodecyl (4-methyl-1,3-phenylene)biscarbamate (CAS 3795-69-5) is a chemical compound with molecular formula C33H58N2O4 and molecular weight 546.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl N-[3-(dodecoxycarbonylamino)-4-methylphenyl]carbamate
Also Known As: Didodecyl (4-methyl-1,3-phenylene)biscarbamate, didodecyl(4-methylbenzene-1,3-diyl)biscarbamate, J1.407.542I, dodecyl N-[3-(dodecoxycarbonylamino)-4-methylphenyl]carbamate, dodecyl N-[3-(dodecoxycarbonylamino)-4-methylphenyl]carbamat
| Molecular Formula | C33H58N2O4 |
|---|---|
| Molecular Weight | 546.44 g/mol |
| LogP | 12.6 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 26 |
| Exact Mass | 546.43964 |
| Heavy Atoms | 39 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 3795-69-5 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)NC1=CC(=C(C=C1)C)NC(=O)OCCCCCCCCCCCC |
| InChIKey | DUASUADUGOFBHH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Didodecyl (4-methyl-1,3-phenylene)biscarbamate (CAS 3795-69-5), with molecular formula C33H58N2O4 and molecular weight 546.44 g/mol. IUPAC: dodecyl N-[3-(dodecoxycarbonylamino)-4-methylphenyl]carbamate.
Chemical Property Profile of Didodecyl (4-methyl-1,3-phenylene)biscarbamate
Property Insights of Didodecyl (4-methyl-1,3-phenylene)biscarbamate
The XLogP value of 12.6 indicates that Didodecyl (4-methyl-1,3-phenylene)biscarbamate 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 Didodecyl (4-methyl-1,3-phenylene)biscarbamate. Following Lipinski's Rule of Five, Didodecyl (4-methyl-1,3-phenylene)biscarbamate 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 Didodecyl (4-methyl-1,3-phenylene)biscarbamate?
The CAS number of Didodecyl (4-methyl-1,3-phenylene)biscarbamate is 3795-69-5.
What is the molecular formula of Didodecyl (4-methyl-1,3-phenylene)biscarbamate?
The molecular formula of Didodecyl (4-methyl-1,3-phenylene)biscarbamate is C33H58N2O4.
What is the molecular weight of Didodecyl (4-methyl-1,3-phenylene)biscarbamate?
The molecular weight of Didodecyl (4-methyl-1,3-phenylene)biscarbamate is 546.44 g/mol.
Where can I buy Didodecyl (4-methyl-1,3-phenylene)biscarbamate?
You can request a quote for Didodecyl (4-methyl-1,3-phenylene)biscarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Didodecyl (4-methyl-1,3-phenylene)biscarbamate?
Yes, KEHONG BIO provides custom synthesis services for Didodecyl (4-methyl-1,3-phenylene)biscarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.