tert-Butyl (chloromethyl)(methyl)carbamate
TL;DR: tert-Butyl (chloromethyl)(methyl)carbamate (CAS 39073-23-9) is a chemical compound with molecular formula C7H14ClNO2 and molecular weight 179.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(chloromethyl)-N-methylcarbamate
Also Known As: starbld0017290, tert-Butyl (chloromethyl)(methyl)carbamate, tert-butyl (chloromethyl)methylcarbamate, tert-butyl N-(chloromethyl)-N-methylcarbamate, N-(Chloromethyl)-N-methylcarbamic acid tert-butyl ester
| Molecular Formula | C7H14ClNO2 |
|---|---|
| Molecular Weight | 179.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.0713 |
| Heavy Atoms | 11 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 39073-23-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N(C)CCl |
| InChIKey | NQPWVBGQCGHCIE-UHFFFAOYSA-N |
Product Overview
tert-Butyl (chloromethyl)(methyl)carbamate (CAS 39073-23-9), with molecular formula C7H14ClNO2 and molecular weight 179.07 g/mol. IUPAC: tert-butyl N-(chloromethyl)-N-methylcarbamate.
Chemical Property Profile of tert-Butyl (chloromethyl)(methyl)carbamate
Property Insights of tert-Butyl (chloromethyl)(methyl)carbamate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl (chloromethyl)(methyl)carbamate. With a topological polar surface area (TPSA) of 29.5 Ų, tert-Butyl (chloromethyl)(methyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl (chloromethyl)(methyl)carbamate has 0 hydrogen bond donor(s) and 2 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 tert-Butyl (chloromethyl)(methyl)carbamate?
The CAS number of tert-Butyl (chloromethyl)(methyl)carbamate is 39073-23-9.
What is the molecular formula of tert-Butyl (chloromethyl)(methyl)carbamate?
The molecular formula of tert-Butyl (chloromethyl)(methyl)carbamate is C7H14ClNO2.
What is the molecular weight of tert-Butyl (chloromethyl)(methyl)carbamate?
The molecular weight of tert-Butyl (chloromethyl)(methyl)carbamate is 179.07 g/mol.
Where can I buy tert-Butyl (chloromethyl)(methyl)carbamate?
You can request a quote for tert-Butyl (chloromethyl)(methyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl (chloromethyl)(methyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl (chloromethyl)(methyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.