Carbamic acid, N,N-bis(hydroxymethyl)-, 1-methylethyl ester
TL;DR: Carbamic acid, N,N-bis(hydroxymethyl)-, 1-methylethyl ester (CAS 4987-75-1) is a chemical compound with molecular formula C6H13NO4 and molecular weight 163.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl N,N-bis(hydroxymethyl)carbamate
Also Known As: Isopropyl dimethyolcarbamate, Dimethylol isopropyl carbamate, Isopropyl bis(hydroxymethyl)carbamate, propan-2-yl N,N-bis(hydroxymethyl)carbamate, propan-2-yl bis(hydroxymethyl)carbamate
| Molecular Formula | C6H13NO4 |
|---|---|
| Molecular Weight | 163.08 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 163.08446 |
| Heavy Atoms | 11 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 4987-75-1 |
|---|---|
| SMILES | CC(C)OC(=O)N(CO)CO |
| InChIKey | DSMDTSQLIDMSDR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamic acid, N,N-bis(hydroxymethyl)-, 1-methylethyl ester (CAS 4987-75-1), with molecular formula C6H13NO4 and molecular weight 163.08 g/mol. IUPAC: propan-2-yl N,N-bis(hydroxymethyl)carbamate.
Chemical Property Profile of Carbamic acid, N,N-bis(hydroxymethyl)-, 1-methylethyl ester
Property Insights of Carbamic acid, N,N-bis(hydroxymethyl)-, 1-methylethyl ester
The XLogP value of -0.2 indicates that Carbamic acid, N,N-bis(hydroxymethyl)-, 1-methylethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, N,N-bis(hydroxymethyl)-, 1-methylethyl ester. Following Lipinski's Rule of Five, Carbamic acid, N,N-bis(hydroxymethyl)-, 1-methylethyl ester 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 Carbamic acid, N,N-bis(hydroxymethyl)-, 1-methylethyl ester?
The CAS number of Carbamic acid, N,N-bis(hydroxymethyl)-, 1-methylethyl ester is 4987-75-1.
What is the molecular formula of Carbamic acid, N,N-bis(hydroxymethyl)-, 1-methylethyl ester?
The molecular formula of Carbamic acid, N,N-bis(hydroxymethyl)-, 1-methylethyl ester is C6H13NO4.
What is the molecular weight of Carbamic acid, N,N-bis(hydroxymethyl)-, 1-methylethyl ester?
The molecular weight of Carbamic acid, N,N-bis(hydroxymethyl)-, 1-methylethyl ester is 163.08 g/mol.
Where can I buy Carbamic acid, N,N-bis(hydroxymethyl)-, 1-methylethyl ester?
You can request a quote for Carbamic acid, N,N-bis(hydroxymethyl)-, 1-methylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, N,N-bis(hydroxymethyl)-, 1-methylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, N,N-bis(hydroxymethyl)-, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.