Dilavacol
TL;DR: Dilavacol (CAS 76391-72-5) is a chemical compound with molecular formula C29H46N2O7 and molecular weight 534.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-hydroxy-3-methoxyphenyl)propane-1,2,3-triol;3-methylbutyl 2-[2-(diethylamino)ethylamino]-2-phenylacetate
Also Known As: Dilavacol, Camylofin mixture with Guaifesin, 1-(4-hydroxy-3-methoxyphenyl)propane-1,2,3-triol; 3-methylbutyl 2-(2-diethylaminoethylamino)-2-phenylacetate, 3-Methylbutyl {[2-(diethylamino)ethyl]amino}(phenyl)acetate--1-(4-hydroxy-3-methoxyphenyl)propane-1,2,3-triol (1/1), Benzeneacetic acid, alpha-((2-(diethylamino)ethyl)amino)-, 3-methylbutyl ester, mixt. with 1-(4-hydroxy-3-methoxyphenyl)-1,2,3-propanetriol
| Molecular Formula | C29H46N2O7 |
|---|---|
| Molecular Weight | 534.33 g/mol |
| LogP | 3.0358 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 16 |
| Exact Mass | 534.3305 |
| Heavy Atoms | 38 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 76391-72-5 |
|---|---|
| SMILES | CCN(CC)CCNC(C1=CC=CC=C1)C(=O)OCCC(C)C.COC1=C(C=CC(=C1)C(C(CO)O)O)O |
| InChIKey | MOJMCCINTAYOHB-UHFFFAOYSA-N |
Product Overview
Dilavacol (CAS 76391-72-5), with molecular formula C29H46N2O7 and molecular weight 534.33 g/mol. IUPAC: 1-(4-hydroxy-3-methoxyphenyl)propane-1,2,3-triol;3-methylbutyl 2-[2-(diethylamino)ethylamino]-2-phenylacetate.
Chemical Property Profile of Dilavacol
Property Insights of Dilavacol
The XLogP value of 3.0358 indicates that Dilavacol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dilavacol. Following Lipinski's Rule of Five, Dilavacol has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dilavacol?
The CAS number of Dilavacol is 76391-72-5.
What is the molecular formula of Dilavacol?
The molecular formula of Dilavacol is C29H46N2O7.
What is the molecular weight of Dilavacol?
The molecular weight of Dilavacol is 534.33 g/mol.
Where can I buy Dilavacol?
You can request a quote for Dilavacol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dilavacol?
Yes, KEHONG BIO provides custom synthesis services for Dilavacol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.