2,2-二对甲苯基-1,3-丙二醇二氨基甲酸酯
TL;DR: 2,2-二对甲苯基-1,3-丙二醇二氨基甲酸酯 (CAS 30589-45-8) is a chemical compound with molecular formula C19H22N2O4 and molecular weight 342.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-二对甲苯基-1,3-丙二醇二氨基甲酸酯
[3-carbamoyloxy-2,2-bis(4-methylphenyl)propyl] carbamate
Also Known As: 2,2-Di-p-tolyl-1,3-propanediol dicarbamate, 1,3-Propanediol, 2,2-di-p-tolyl-, dicarbamate, 2.2-Di-(p-tolyl)-1.3-dicarbamoyloxy-propan, 2,2-bis(4-methylphenyl)propane-1,3-diyl dicarbamate, 1,3-Propanediol,2,2-di-p-tolyl-, dicarbamate (8CI)
| Molecular Formula | C19H22N2O4 |
|---|---|
| Molecular Weight | 342.16 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 342.15796 |
| Heavy Atoms | 25 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 30589-45-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(COC(=O)N)(COC(=O)N)C2=CC=C(C=C2)C |
| InChIKey | SRTSKTCQURGSPI-UHFFFAOYSA-N |
Product Overview
2,2-二对甲苯基-1,3-丙二醇二氨基甲酸酯 (CAS 30589-45-8), with molecular formula C19H22N2O4 and molecular weight 342.16 g/mol. IUPAC: [3-carbamoyloxy-2,2-bis(4-methylphenyl)propyl] carbamate.
Chemical Property Profile of 2,2-二对甲苯基-1,3-丙二醇二氨基甲酸酯
Property Insights of 2,2-二对甲苯基-1,3-丙二醇二氨基甲酸酯
The XLogP value of 3.0 indicates that 2,2-二对甲苯基-1,3-丙二醇二氨基甲酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-二对甲苯基-1,3-丙二醇二氨基甲酸酯. Following Lipinski's Rule of Five, 2,2-二对甲苯基-1,3-丙二醇二氨基甲酸酯 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 2,2-二对甲苯基-1,3-丙二醇二氨基甲酸酯?
The CAS number of 2,2-二对甲苯基-1,3-丙二醇二氨基甲酸酯 is 30589-45-8.
What is the molecular formula of 2,2-二对甲苯基-1,3-丙二醇二氨基甲酸酯?
The molecular formula of 2,2-二对甲苯基-1,3-丙二醇二氨基甲酸酯 is C19H22N2O4.
What is the molecular weight of 2,2-二对甲苯基-1,3-丙二醇二氨基甲酸酯?
The molecular weight of 2,2-二对甲苯基-1,3-丙二醇二氨基甲酸酯 is 342.16 g/mol.
Where can I buy 2,2-二对甲苯基-1,3-丙二醇二氨基甲酸酯?
You can request a quote for 2,2-二对甲苯基-1,3-丙二醇二氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-二对甲苯基-1,3-丙二醇二氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2,2-二对甲苯基-1,3-丙二醇二氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.