RefChem:331739
TL;DR: RefChem:331739 (CAS 129230-07-5) is a chemical compound with molecular formula C32H45N3O10 and molecular weight 631.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl N-(4-methylpentan-2-yl)carbamate
Also Known As: 2-phenoxymethyl-5-nitrobenzoic acid, J1.371.036H, Carbamic acid, (1,3-dimethylbutyl)-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester, N,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-N''-(1',3'-dimethyl)butylcarbamoyloxymethylpiperazine, [1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl N-(4-methylpentan-2-yl)carbamate
| Molecular Formula | C32H45N3O10 |
|---|---|
| Molecular Weight | 631.31 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 631.3105 |
| Heavy Atoms | 45 |
| Complexity | 926.0 |
Chemical Identifiers
| CAS Number | 129230-07-5 |
|---|---|
| SMILES | CC(C)CC(C)NC(=O)OCC1CN(CCN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)C3=CC(=C(C(=C3)OC)OC)OC |
| InChIKey | VJAMGEUEUBUVCW-UHFFFAOYSA-N |
Product Overview
RefChem:331739 (CAS 129230-07-5), with molecular formula C32H45N3O10 and molecular weight 631.31 g/mol. IUPAC: [1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl N-(4-methylpentan-2-yl)carbamate.
Chemical Property Profile of RefChem:331739
Property Insights of RefChem:331739
The XLogP value of 4.0 indicates that RefChem:331739 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:331739. Following Lipinski's Rule of Five, RefChem:331739 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:331739?
The CAS number of RefChem:331739 is 129230-07-5.
What is the molecular formula of RefChem:331739?
The molecular formula of RefChem:331739 is C32H45N3O10.
What is the molecular weight of RefChem:331739?
The molecular weight of RefChem:331739 is 631.31 g/mol.
Where can I buy RefChem:331739?
You can request a quote for RefChem:331739 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331739?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331739 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.