Carbamic acid, octadecyl-, (3-iodo-1H-pyrazol-4-yl)methyl ester
TL;DR: Carbamic acid, octadecyl-, (3-iodo-1H-pyrazol-4-yl)methyl ester (CAS 115547-76-7) is a chemical compound with molecular formula C23H42IN3O2 and molecular weight 519.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-iodo-1H-pyrazol-4-yl)methyl N-octadecylcarbamate
Also Known As: Carbamic acid, octadecyl-, (3-iodo-1H-pyrazol-4-yl)methyl ester, Octadecylcarbamic acid (3-iodo-1H-pyrazol-4-yl)methyl ester, (5-Iodo-1H-pyrazol-4-yl)methyl octadecylcarbamate, (5-iodo-1H-pyrazol-4-yl)methyl N-octadecylcarbamate, BRN 5619107
| Molecular Formula | C23H42IN3O2 |
|---|---|
| Molecular Weight | 519.23 g/mol |
| LogP | 7.502 |
| Topological Polar Surface Area | 67.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 19 |
| Exact Mass | 519.2322 |
| Heavy Atoms | 29 |
| Complexity | 508.06732 |
Chemical Identifiers
| CAS Number | 115547-76-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCNC(=O)OCC1=C(NN=C1)I |
Product Overview
Carbamic acid, octadecyl-, (3-iodo-1H-pyrazol-4-yl)methyl ester (CAS 115547-76-7), with molecular formula C23H42IN3O2 and molecular weight 519.23 g/mol. IUPAC: (5-iodo-1H-pyrazol-4-yl)methyl N-octadecylcarbamate.
Chemical Property Profile of Carbamic acid, octadecyl-, (3-iodo-1H-pyrazol-4-yl)methyl ester
Property Insights of Carbamic acid, octadecyl-, (3-iodo-1H-pyrazol-4-yl)methyl ester
The XLogP value of 7.502 indicates that Carbamic acid, octadecyl-, (3-iodo-1H-pyrazol-4-yl)methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.01 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, octadecyl-, (3-iodo-1H-pyrazol-4-yl)methyl ester. Following Lipinski's Rule of Five, Carbamic acid, octadecyl-, (3-iodo-1H-pyrazol-4-yl)methyl ester has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbamic acid, octadecyl-, (3-iodo-1H-pyrazol-4-yl)methyl ester?
The CAS number of Carbamic acid, octadecyl-, (3-iodo-1H-pyrazol-4-yl)methyl ester is 115547-76-7.
What is the molecular formula of Carbamic acid, octadecyl-, (3-iodo-1H-pyrazol-4-yl)methyl ester?
The molecular formula of Carbamic acid, octadecyl-, (3-iodo-1H-pyrazol-4-yl)methyl ester is C23H42IN3O2.
What is the molecular weight of Carbamic acid, octadecyl-, (3-iodo-1H-pyrazol-4-yl)methyl ester?
The molecular weight of Carbamic acid, octadecyl-, (3-iodo-1H-pyrazol-4-yl)methyl ester is 519.23 g/mol.
Where can I buy Carbamic acid, octadecyl-, (3-iodo-1H-pyrazol-4-yl)methyl ester?
You can request a quote for Carbamic acid, octadecyl-, (3-iodo-1H-pyrazol-4-yl)methyl 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, octadecyl-, (3-iodo-1H-pyrazol-4-yl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, octadecyl-, (3-iodo-1H-pyrazol-4-yl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.