1-Butanol, 1,1-bis((3,4-methylenedioxyphenoxy)methyl)-N,N-dimethyl-, citrate
TL;DR: 1-Butanol, 1,1-bis((3,4-methylenedioxyphenoxy)methyl)-N,N-dimethyl-, citrate (CAS 64246-03-3) is a chemical compound with molecular formula C28H35NO14 and molecular weight 609.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yloxy)-2-(1,3-benzodioxol-5-yloxymethyl)-5-(dimethylamino)pentan-2-ol;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: 1-Butanol, 1,1-bis((3,4-methylenedioxyphenoxy)methyl)-N,N-dimethyl-, citrate, 1,3-Bis-(3,4-metilendiossifenossi)-2-(3-dimetilaminopropil)propan-2-olo citrato [Italian], 1,3-Bis-(3,4-metilendiossifenossi)-2-(3-dimetilaminopropil)propan-2-olo citrato, 1-(1,3-benzodioxol-5-yloxy)-2-(1,3-benzodioxol-5-yloxymethyl, 1-(1,3-benzodioxol-5-yloxy)-2-(1,3-benzodioxol-5-yloxymethyl)-5-(dimethylamino)pentan-2-ol; 2-hydroxypropane-1,2,3-tricarboxylic acid
| Molecular Formula | C28H35NO14 |
|---|---|
| Molecular Weight | 609.21 g/mol |
| LogP | 1.4262 |
| Topological Polar Surface Area | 210.98 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 609.20575 |
| Heavy Atoms | 43 |
| Complexity | 1202.6002 |
Chemical Identifiers
| CAS Number | 64246-03-3 |
|---|---|
| SMILES | CN(C)CCCC(COC1=CC2=C(C=C1)OCO2)(COC3=CC4=C(C=C3)OCO4)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Product Overview
1-Butanol, 1,1-bis((3,4-methylenedioxyphenoxy)methyl)-N,N-dimethyl-, citrate (CAS 64246-03-3), with molecular formula C28H35NO14 and molecular weight 609.21 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yloxy)-2-(1,3-benzodioxol-5-yloxymethyl)-5-(dimethylamino)pentan-2-ol;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of 1-Butanol, 1,1-bis((3,4-methylenedioxyphenoxy)methyl)-N,N-dimethyl-, citrate
Property Insights of 1-Butanol, 1,1-bis((3,4-methylenedioxyphenoxy)methyl)-N,N-dimethyl-, citrate
The XLogP value of 1.4262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butanol, 1,1-bis((3,4-methylenedioxyphenoxy)methyl)-N,N-dimethyl-, citrate. The TPSA of 210.98 Ų indicates high polarity, suggesting 1-Butanol, 1,1-bis((3,4-methylenedioxyphenoxy)methyl)-N,N-dimethyl-, citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Butanol, 1,1-bis((3,4-methylenedioxyphenoxy)methyl)-N,N-dimethyl-, citrate has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Butanol, 1,1-bis((3,4-methylenedioxyphenoxy)methyl)-N,N-dimethyl-, citrate?
The CAS number of 1-Butanol, 1,1-bis((3,4-methylenedioxyphenoxy)methyl)-N,N-dimethyl-, citrate is 64246-03-3.
What is the molecular formula of 1-Butanol, 1,1-bis((3,4-methylenedioxyphenoxy)methyl)-N,N-dimethyl-, citrate?
The molecular formula of 1-Butanol, 1,1-bis((3,4-methylenedioxyphenoxy)methyl)-N,N-dimethyl-, citrate is C28H35NO14.
What is the molecular weight of 1-Butanol, 1,1-bis((3,4-methylenedioxyphenoxy)methyl)-N,N-dimethyl-, citrate?
The molecular weight of 1-Butanol, 1,1-bis((3,4-methylenedioxyphenoxy)methyl)-N,N-dimethyl-, citrate is 609.21 g/mol.
Where can I buy 1-Butanol, 1,1-bis((3,4-methylenedioxyphenoxy)methyl)-N,N-dimethyl-, citrate?
You can request a quote for 1-Butanol, 1,1-bis((3,4-methylenedioxyphenoxy)methyl)-N,N-dimethyl-, citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanol, 1,1-bis((3,4-methylenedioxyphenoxy)methyl)-N,N-dimethyl-, citrate?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanol, 1,1-bis((3,4-methylenedioxyphenoxy)methyl)-N,N-dimethyl-, citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.