Dibutan-2-yl (4-methyl-1,3-phenylene)biscarbamate
TL;DR: Dibutan-2-yl (4-methyl-1,3-phenylene)biscarbamate (CAS 7477-82-9) is a chemical compound with molecular formula C17H26N2O4 and molecular weight 322.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl N-[3-(butan-2-yloxycarbonylamino)-4-methylphenyl]carbamate
Also Known As: Dibutan-2-yl (4-methyl-1,3-phenylene)biscarbamate, Di(butan-2-yl) (4-methyl-1,3-phenylene)biscarbamate, butan-2-yl N-[3-(butan-2-yloxycarbonylamino)-4-methylphenyl], butan-2-yl N-[3-(butan-2-yloxycarbonylamino)-4-methylphenyl]carbamate
| Molecular Formula | C17H26N2O4 |
|---|---|
| Molecular Weight | 322.19 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 | 322.18927 |
| Heavy Atoms | 23 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 7477-82-9 |
|---|---|
| SMILES | CCC(C)OC(=O)NC1=CC(=C(C=C1)C)NC(=O)OC(C)CC |
| InChIKey | KEURTXLOYIIITI-UHFFFAOYSA-N |
Product Overview
Dibutan-2-yl (4-methyl-1,3-phenylene)biscarbamate (CAS 7477-82-9), with molecular formula C17H26N2O4 and molecular weight 322.19 g/mol. IUPAC: butan-2-yl N-[3-(butan-2-yloxycarbonylamino)-4-methylphenyl]carbamate.
Chemical Property Profile of Dibutan-2-yl (4-methyl-1,3-phenylene)biscarbamate
Property Insights of Dibutan-2-yl (4-methyl-1,3-phenylene)biscarbamate
The XLogP value of 4.1 indicates that Dibutan-2-yl (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 Dibutan-2-yl (4-methyl-1,3-phenylene)biscarbamate. Following Lipinski's Rule of Five, Dibutan-2-yl (4-methyl-1,3-phenylene)biscarbamate 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 Dibutan-2-yl (4-methyl-1,3-phenylene)biscarbamate?
The CAS number of Dibutan-2-yl (4-methyl-1,3-phenylene)biscarbamate is 7477-82-9.
What is the molecular formula of Dibutan-2-yl (4-methyl-1,3-phenylene)biscarbamate?
The molecular formula of Dibutan-2-yl (4-methyl-1,3-phenylene)biscarbamate is C17H26N2O4.
What is the molecular weight of Dibutan-2-yl (4-methyl-1,3-phenylene)biscarbamate?
The molecular weight of Dibutan-2-yl (4-methyl-1,3-phenylene)biscarbamate is 322.19 g/mol.
Where can I buy Dibutan-2-yl (4-methyl-1,3-phenylene)biscarbamate?
You can request a quote for Dibutan-2-yl (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 Dibutan-2-yl (4-methyl-1,3-phenylene)biscarbamate?
Yes, KEHONG BIO provides custom synthesis services for Dibutan-2-yl (4-methyl-1,3-phenylene)biscarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.