RefChem:331984
TL;DR: RefChem:331984 (CAS 129229-95-4) is a chemical compound with molecular formula C35H43N3O13 and molecular weight 713.28 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-(3,4,5-trimethoxyphenyl)carbamate
Also Known As: 2-phenoxymethyl-5-nitrobenzoic acid, Carbamic acid, (3,4,5-trimethoxyphenyl)-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester, [1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl N-(3,4,5-trimethoxyphenyl)carbamate, (3,4,5-Trimethoxy-phenyl)-carbamic acid 1,4-bis-(3,4,5-trimethoxy-benzoyl)-piperazin-2-ylmethyl ester, [1,4-Bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl hydrogen (3,4,5-trimethoxyphenyl)carbonimidate
| Molecular Formula | C35H43N3O13 |
|---|---|
| Molecular Weight | 713.28 g/mol |
| LogP | 3.9795 |
| Topological Polar Surface Area | 162.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 14 |
| Exact Mass | 713.2796 |
| Heavy Atoms | 51 |
| Complexity | 1655.9202 |
Chemical Identifiers
| CAS Number | 129229-95-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(C(C2)COC(=O)NC3=CC(=C(C(=C3)OC)OC)OC)C(=O)C4=CC(=C(C(=C4)OC)OC)OC |
Product Overview
RefChem:331984 (CAS 129229-95-4), with molecular formula C35H43N3O13 and molecular weight 713.28 g/mol. IUPAC: [1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl N-(3,4,5-trimethoxyphenyl)carbamate.
Chemical Property Profile of RefChem:331984
Property Insights of RefChem:331984
The XLogP value of 3.9795 indicates that RefChem:331984 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.02 Ų indicates high polarity, suggesting RefChem:331984 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:331984 has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:331984?
The CAS number of RefChem:331984 is 129229-95-4.
What is the molecular formula of RefChem:331984?
The molecular formula of RefChem:331984 is C35H43N3O13.
What is the molecular weight of RefChem:331984?
The molecular weight of RefChem:331984 is 713.28 g/mol.
Where can I buy RefChem:331984?
You can request a quote for RefChem:331984 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331984?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331984 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.