Carbamic acid, ((methylnitrosamino)methyl)-, isopropyl ester
TL;DR: Carbamic acid, ((methylnitrosamino)methyl)-, isopropyl ester (CAS 72735-15-0) is a chemical compound with molecular formula C6H13N3O3 and molecular weight 175.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl N-[[methyl(nitroso)amino]methyl]carbamate
Also Known As: [methyl]carbamicacidisopropylester|[ methyl]carbamicacidisopropylester|((Methylnitrosamino)methyl)carbamic acid isopropyl ester|CARBAMIC ACID, ((METHYLNITROSAMINO)METHYL)-, ISOPROPYL ESTER|propan-2-yl N-[[methyl(nitroso)amino]methyl]carbamate|Propan-2-yl {[methyl(nitroso)amino]methyl}carbamate|propan-2-yl N-{[methyl(nitroso)amino]methyl}carbamate|N-[(Methylnitrosoamino)methyl]carbamic acid isopropyl ester|BRN 2640956|RefChem:331718|DTXCID80145524|QFFKAHWVGUMMGQ-UHFFFAOYSA-N
| Molecular Formula | C6H13N3O3 |
|---|---|
| Molecular Weight | 175.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 175.09569 |
| Heavy Atoms | 12 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 72735-15-0 |
|---|---|
| SMILES | CC(C)OC(=O)NCN(C)N=O |
| InChIKey | QFFKAHWVGUMMGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamic acid, ((methylnitrosamino)methyl)-, isopropyl ester (CAS 72735-15-0), with molecular formula C6H13N3O3 and molecular weight 175.10 g/mol. IUPAC: propan-2-yl N-[[methyl(nitroso)amino]methyl]carbamate.
Chemical Property Profile of Carbamic acid, ((methylnitrosamino)methyl)-, isopropyl ester
Property Insights of Carbamic acid, ((methylnitrosamino)methyl)-, isopropyl ester
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, ((methylnitrosamino)methyl)-, isopropyl ester. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, ((methylnitrosamino)methyl)-, isopropyl ester. Following Lipinski's Rule of Five, Carbamic acid, ((methylnitrosamino)methyl)-, isopropyl ester has 1 hydrogen bond donor(s) and 5 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, ((methylnitrosamino)methyl)-, isopropyl ester?
The CAS number of Carbamic acid, ((methylnitrosamino)methyl)-, isopropyl ester is 72735-15-0.
What is the molecular formula of Carbamic acid, ((methylnitrosamino)methyl)-, isopropyl ester?
The molecular formula of Carbamic acid, ((methylnitrosamino)methyl)-, isopropyl ester is C6H13N3O3.
What is the molecular weight of Carbamic acid, ((methylnitrosamino)methyl)-, isopropyl ester?
The molecular weight of Carbamic acid, ((methylnitrosamino)methyl)-, isopropyl ester is 175.10 g/mol.
Where can I buy Carbamic acid, ((methylnitrosamino)methyl)-, isopropyl ester?
You can request a quote for Carbamic acid, ((methylnitrosamino)methyl)-, isopropyl 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, ((methylnitrosamino)methyl)-, isopropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, ((methylnitrosamino)methyl)-, isopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.