RefChem:123393
TL;DR: RefChem:123393 (CAS 52642-22-5) is a chemical compound with molecular formula C33H50N2O8 and molecular weight 602.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(prop-2-enoxymethyl)butyl N-[3-[2,2-bis(prop-2-enoxymethyl)butoxycarbonylamino]-2-methylphenyl]carbamate
Also Known As: Toluenedicarbamic acid, 2,2-bis(allyloxymethyl)-1-butanol diester, Bis(2,2-bis((allyloxy)methyl)butyl) (methyl-m-phenylene)dicarbamate, Bis[2,2-bis[(allyloxy)methyl]butyl] (methyl-m-phenylene)dicarbamate, Carbamic acid, (methyl-1,3-phenylene)bis-, bis(2,2-bis((2-propenyloxy)methyl)butyl) ester, Carbamic acid, N,N'-(methyl-1,3-phenylene)bis-, C,C'-bis(2,2-bis((2-propen-1-yloxy)methyl)butyl) ester
| Molecular Formula | C33H50N2O8 |
|---|---|
| Molecular Weight | 602.36 g/mol |
| LogP | 6.69522 |
| Topological Polar Surface Area | 113.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 24 |
| Exact Mass | 602.3567 |
| Heavy Atoms | 43 |
| Complexity | 921.9051 |
Chemical Identifiers
| CAS Number | 52642-22-5 |
|---|---|
| SMILES | CCC(COCC=C)(COCC=C)COC(=O)NC1=C(C(=CC=C1)NC(=O)OCC(CC)(COCC=C)COCC=C)C |
Product Overview
RefChem:123393 (CAS 52642-22-5), with molecular formula C33H50N2O8 and molecular weight 602.36 g/mol. IUPAC: 2,2-bis(prop-2-enoxymethyl)butyl N-[3-[2,2-bis(prop-2-enoxymethyl)butoxycarbonylamino]-2-methylphenyl]carbamate.
Chemical Property Profile of RefChem:123393
Property Insights of RefChem:123393
The XLogP value of 6.69522 indicates that RefChem:123393 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.58 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:123393. Following Lipinski's Rule of Five, RefChem:123393 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:123393?
The CAS number of RefChem:123393 is 52642-22-5.
What is the molecular formula of RefChem:123393?
The molecular formula of RefChem:123393 is C33H50N2O8.
What is the molecular weight of RefChem:123393?
The molecular weight of RefChem:123393 is 602.36 g/mol.
Where can I buy RefChem:123393?
You can request a quote for RefChem:123393 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:123393?
Yes, KEHONG BIO provides custom synthesis services for RefChem:123393 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.