Benzyl 3-bromopropylcarbamate
TL;DR: Benzyl 3-bromopropylcarbamate (CAS 52625-08-8) is a chemical compound with molecular formula C11H14BrNO2 and molecular weight 271.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-(3-bromopropyl)carbamate
Also Known As: Benzyl (3-bromopropyl)carbamate, Benzyl 3-bromopropylcarbamate, benzyl N-(3-bromopropyl)carbamate, N-Cbz-3-bromopropylamine, 2-Methoxyphenylacetylene
| Molecular Formula | C11H14BrNO2 |
|---|---|
| Molecular Weight | 271.02 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 271.02078 |
| Heavy Atoms | 15 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 52625-08-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NCCCBr |
| InChIKey | QGTWQXTXRILXOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl 3-bromopropylcarbamate (CAS 52625-08-8), with molecular formula C11H14BrNO2 and molecular weight 271.02 g/mol. IUPAC: benzyl N-(3-bromopropyl)carbamate.
Chemical Property Profile of Benzyl 3-bromopropylcarbamate
Property Insights of Benzyl 3-bromopropylcarbamate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 3-bromopropylcarbamate. With a topological polar surface area (TPSA) of 38.3 Ų, Benzyl 3-bromopropylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 3-bromopropylcarbamate has 1 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 Benzyl 3-bromopropylcarbamate?
The CAS number of Benzyl 3-bromopropylcarbamate is 52625-08-8.
What is the molecular formula of Benzyl 3-bromopropylcarbamate?
The molecular formula of Benzyl 3-bromopropylcarbamate is C11H14BrNO2.
What is the molecular weight of Benzyl 3-bromopropylcarbamate?
The molecular weight of Benzyl 3-bromopropylcarbamate is 271.02 g/mol.
Where can I buy Benzyl 3-bromopropylcarbamate?
You can request a quote for Benzyl 3-bromopropylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 3-bromopropylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 3-bromopropylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.