3-(4-Bromobutoxy)-2-methoxypropyl N-octadecylcarbamate
TL;DR: 3-(4-Bromobutoxy)-2-methoxypropyl N-octadecylcarbamate (CAS 105051-22-7) is a chemical compound with molecular formula C27H54BrNO4 and molecular weight 535.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-bromobutoxy)-2-methoxypropyl] N-octadecylcarbamate
Also Known As: 3-(4-BROMOBUTOXY)-2-METHOXYPROPYL N-OCTADECYLCARBAMATE, [3-(4-bromobutoxy)-2-methoxy-propyl] N-octadecylcarbamate, [3-(4-bromobutoxy)-2-methoxypropyl] N-octadecylcarbamate
| Molecular Formula | C27H54BrNO4 |
|---|---|
| Molecular Weight | 535.32 g/mol |
| LogP | 8.1808 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 26 |
| Exact Mass | 535.3236 |
| Heavy Atoms | 33 |
| Complexity | 398.31766 |
Chemical Identifiers
| CAS Number | 105051-22-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COCCCCBr)OC |
Product Overview
3-(4-Bromobutoxy)-2-methoxypropyl N-octadecylcarbamate (CAS 105051-22-7), with molecular formula C27H54BrNO4 and molecular weight 535.32 g/mol. IUPAC: [3-(4-bromobutoxy)-2-methoxypropyl] N-octadecylcarbamate.
Chemical Property Profile of 3-(4-Bromobutoxy)-2-methoxypropyl N-octadecylcarbamate
Property Insights of 3-(4-Bromobutoxy)-2-methoxypropyl N-octadecylcarbamate
The XLogP value of 8.1808 indicates that 3-(4-Bromobutoxy)-2-methoxypropyl N-octadecylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.79 Ų, 3-(4-Bromobutoxy)-2-methoxypropyl N-octadecylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Bromobutoxy)-2-methoxypropyl N-octadecylcarbamate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-Bromobutoxy)-2-methoxypropyl N-octadecylcarbamate?
The CAS number of 3-(4-Bromobutoxy)-2-methoxypropyl N-octadecylcarbamate is 105051-22-7.
What is the molecular formula of 3-(4-Bromobutoxy)-2-methoxypropyl N-octadecylcarbamate?
The molecular formula of 3-(4-Bromobutoxy)-2-methoxypropyl N-octadecylcarbamate is C27H54BrNO4.
What is the molecular weight of 3-(4-Bromobutoxy)-2-methoxypropyl N-octadecylcarbamate?
The molecular weight of 3-(4-Bromobutoxy)-2-methoxypropyl N-octadecylcarbamate is 535.32 g/mol.
Where can I buy 3-(4-Bromobutoxy)-2-methoxypropyl N-octadecylcarbamate?
You can request a quote for 3-(4-Bromobutoxy)-2-methoxypropyl N-octadecylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Bromobutoxy)-2-methoxypropyl N-octadecylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Bromobutoxy)-2-methoxypropyl N-octadecylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.