methyl N-(3-bromopropanoyl)carbamate
TL;DR: methyl N-(3-bromopropanoyl)carbamate (CAS 98143-22-7) is a chemical compound with molecular formula C5H8BrNO3 and molecular weight 208.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(3-bromopropanoyl)carbamate
Also Known As: methyl N-(3-bromopropanoyl)carbamate, NCIOpen2_006494, Methyl 3-bromopropanoylcarbamate, Methyl 3-bromopropanoylcarbamate #, Propionamide, 3-bromo-N-carbomethoxy-
| Molecular Formula | C5H8BrNO3 |
|---|---|
| Molecular Weight | 208.97 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.96877 |
| Heavy Atoms | 10 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 98143-22-7 |
|---|---|
| SMILES | COC(=O)NC(=O)CCBr |
| InChIKey | VFUWEKDSOXFXOK-UHFFFAOYSA-N |
Product Overview
methyl N-(3-bromopropanoyl)carbamate (CAS 98143-22-7), with molecular formula C5H8BrNO3 and molecular weight 208.97 g/mol. IUPAC: methyl N-(3-bromopropanoyl)carbamate.
Chemical Property Profile of methyl N-(3-bromopropanoyl)carbamate
Property Insights of methyl N-(3-bromopropanoyl)carbamate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-(3-bromopropanoyl)carbamate. With a topological polar surface area (TPSA) of 55.4 Ų, methyl N-(3-bromopropanoyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N-(3-bromopropanoyl)carbamate has 1 hydrogen bond donor(s) and 3 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 methyl N-(3-bromopropanoyl)carbamate?
The CAS number of methyl N-(3-bromopropanoyl)carbamate is 98143-22-7.
What is the molecular formula of methyl N-(3-bromopropanoyl)carbamate?
The molecular formula of methyl N-(3-bromopropanoyl)carbamate is C5H8BrNO3.
What is the molecular weight of methyl N-(3-bromopropanoyl)carbamate?
The molecular weight of methyl N-(3-bromopropanoyl)carbamate is 208.97 g/mol.
Where can I buy methyl N-(3-bromopropanoyl)carbamate?
You can request a quote for methyl N-(3-bromopropanoyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-(3-bromopropanoyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(3-bromopropanoyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.