Benzyl (3-iodopropyl)carbamate
TL;DR: Benzyl (3-iodopropyl)carbamate (CAS 84792-78-9) is a chemical compound with molecular formula C11H14INO2 and molecular weight 319.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-(3-iodopropyl)carbamate
Also Known As: Benzyl (3-iodopropyl)carbamate, benzyl N-(3-iodopropyl)carbamate, Benzyl 3-iodopropylcarbamate, Benzyl(3-iodopropyl)carbamate, Benzyl 3-iodopropylcarbamate #
| Molecular Formula | C11H14INO2 |
|---|---|
| Molecular Weight | 319.01 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 319.00693 |
| Heavy Atoms | 15 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 84792-78-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NCCCI |
| InChIKey | KVVPUCWDNQTALZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl (3-iodopropyl)carbamate (CAS 84792-78-9), with molecular formula C11H14INO2 and molecular weight 319.01 g/mol. IUPAC: benzyl N-(3-iodopropyl)carbamate.
Chemical Property Profile of Benzyl (3-iodopropyl)carbamate
Property Insights of Benzyl (3-iodopropyl)carbamate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl (3-iodopropyl)carbamate. With a topological polar surface area (TPSA) of 38.3 Ų, Benzyl (3-iodopropyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl (3-iodopropyl)carbamate 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-iodopropyl)carbamate?
The CAS number of Benzyl (3-iodopropyl)carbamate is 84792-78-9.
What is the molecular formula of Benzyl (3-iodopropyl)carbamate?
The molecular formula of Benzyl (3-iodopropyl)carbamate is C11H14INO2.
What is the molecular weight of Benzyl (3-iodopropyl)carbamate?
The molecular weight of Benzyl (3-iodopropyl)carbamate is 319.01 g/mol.
Where can I buy Benzyl (3-iodopropyl)carbamate?
You can request a quote for Benzyl (3-iodopropyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl (3-iodopropyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl (3-iodopropyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.