Bis(2-methylbutan-2-yl) (4-methyl-1,3-phenylene)bis(hydrogen carbonimidate)
TL;DR: Bis(2-methylbutan-2-yl) (4-methyl-1,3-phenylene)bis(hydrogen carbonimidate) (CAS 59698-27-0) is a chemical compound with molecular formula C19H30N2O4 and molecular weight 350.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylbutan-2-yl N-[2-methyl-5-(2-methylbutan-2-yloxycarbonylamino)phenyl]carbamate
Also Known As: bis(2-methylbutan-2-yl)(4-methylbenzene-1,3-diyl)biscarbamate, Bis(2-methylbutan-2-yl) (4-methyl-1,3-phenylene)bis(hydrogen carbonimidate), 2-methylbutan-2-yl N-[2-methyl-5-(2-methylbutan-2-yloxycarbonylamino)phenyl]carbamate
| Molecular Formula | C19H30N2O4 |
|---|---|
| Molecular Weight | 350.22 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 350.22055 |
| Heavy Atoms | 25 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 59698-27-0 |
|---|---|
| SMILES | CCC(C)(C)OC(=O)NC1=CC(=C(C=C1)C)NC(=O)OC(C)(C)CC |
| InChIKey | PPHAMAPDJVFCRS-UHFFFAOYSA-N |
Product Overview
Bis(2-methylbutan-2-yl) (4-methyl-1,3-phenylene)bis(hydrogen carbonimidate) (CAS 59698-27-0), with molecular formula C19H30N2O4 and molecular weight 350.22 g/mol. IUPAC: 2-methylbutan-2-yl N-[2-methyl-5-(2-methylbutan-2-yloxycarbonylamino)phenyl]carbamate.
Chemical Property Profile of Bis(2-methylbutan-2-yl) (4-methyl-1,3-phenylene)bis(hydrogen carbonimidate)
Property Insights of Bis(2-methylbutan-2-yl) (4-methyl-1,3-phenylene)bis(hydrogen carbonimidate)
The XLogP value of 4.5 indicates that Bis(2-methylbutan-2-yl) (4-methyl-1,3-phenylene)bis(hydrogen carbonimidate) 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 Bis(2-methylbutan-2-yl) (4-methyl-1,3-phenylene)bis(hydrogen carbonimidate). Following Lipinski's Rule of Five, Bis(2-methylbutan-2-yl) (4-methyl-1,3-phenylene)bis(hydrogen carbonimidate) 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 Bis(2-methylbutan-2-yl) (4-methyl-1,3-phenylene)bis(hydrogen carbonimidate)?
The CAS number of Bis(2-methylbutan-2-yl) (4-methyl-1,3-phenylene)bis(hydrogen carbonimidate) is 59698-27-0.
What is the molecular formula of Bis(2-methylbutan-2-yl) (4-methyl-1,3-phenylene)bis(hydrogen carbonimidate)?
The molecular formula of Bis(2-methylbutan-2-yl) (4-methyl-1,3-phenylene)bis(hydrogen carbonimidate) is C19H30N2O4.
What is the molecular weight of Bis(2-methylbutan-2-yl) (4-methyl-1,3-phenylene)bis(hydrogen carbonimidate)?
The molecular weight of Bis(2-methylbutan-2-yl) (4-methyl-1,3-phenylene)bis(hydrogen carbonimidate) is 350.22 g/mol.
Where can I buy Bis(2-methylbutan-2-yl) (4-methyl-1,3-phenylene)bis(hydrogen carbonimidate)?
You can request a quote for Bis(2-methylbutan-2-yl) (4-methyl-1,3-phenylene)bis(hydrogen carbonimidate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2-methylbutan-2-yl) (4-methyl-1,3-phenylene)bis(hydrogen carbonimidate)?
Yes, KEHONG BIO provides custom synthesis services for Bis(2-methylbutan-2-yl) (4-methyl-1,3-phenylene)bis(hydrogen carbonimidate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.