![(2,4-d][1,3]dioxol-4-yl)methyl phenyl carbonate structure](/static/products/5856/5856-49-5.webp)
(2,4-d][1,3]dioxol-4-yl)methyl phenyl carbonate
TL;DR: (2,4-d][1,3]dioxol-4-yl)methyl phenyl carbonate (CAS 5856-49-5) is a chemical compound with molecular formula C20H20N4O6S and molecular weight 444.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,2-dimethyl-4-(6-sulfanylidene-3H-purin-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl phenyl carbonate
Also Known As: (2,4-d][1,3]dioxol-4-yl)methyl phenyl carbonate, [2,2-dimethyl-4-(6-sulfanylidene-3H-purin-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl phenyl carbonate, 9-[2,3-O-(1-Methylethylidene)-5-O-(phenoxycarbonyl)pentofuranosyl]-3,9-dihydro-6H-purine-6-thione
| Molecular Formula | C20H20N4O6S |
|---|---|
| Molecular Weight | 444.11 g/mol |
| LogP | 3.12199 |
| Topological Polar Surface Area | 109.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.11035 |
| Heavy Atoms | 31 |
| Complexity | 1163.1914 |
Chemical Identifiers
| CAS Number | 5856-49-5 |
|---|---|
| SMILES | CC1(OC2C(OC(C2O1)N3C=NC4=C3NC=NC4=S)COC(=O)OC5=CC=CC=C5)C |
Product Overview
(2,4-d][1,3]dioxol-4-yl)methyl phenyl carbonate (CAS 5856-49-5), with molecular formula C20H20N4O6S and molecular weight 444.11 g/mol. IUPAC: [2,2-dimethyl-4-(6-sulfanylidene-3H-purin-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl phenyl carbonate.
Chemical Property Profile of (2,4-d][1,3]dioxol-4-yl)methyl phenyl carbonate
Property Insights of (2,4-d][1,3]dioxol-4-yl)methyl phenyl carbonate
The XLogP value of 3.12199 indicates that (2,4-d][1,3]dioxol-4-yl)methyl phenyl carbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.72 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,4-d][1,3]dioxol-4-yl)methyl phenyl carbonate. Following Lipinski's Rule of Five, (2,4-d][1,3]dioxol-4-yl)methyl phenyl carbonate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2,4-d][1,3]dioxol-4-yl)methyl phenyl carbonate?
The CAS number of (2,4-d][1,3]dioxol-4-yl)methyl phenyl carbonate is 5856-49-5.
What is the molecular formula of (2,4-d][1,3]dioxol-4-yl)methyl phenyl carbonate?
The molecular formula of (2,4-d][1,3]dioxol-4-yl)methyl phenyl carbonate is C20H20N4O6S.
What is the molecular weight of (2,4-d][1,3]dioxol-4-yl)methyl phenyl carbonate?
The molecular weight of (2,4-d][1,3]dioxol-4-yl)methyl phenyl carbonate is 444.11 g/mol.
Where can I buy (2,4-d][1,3]dioxol-4-yl)methyl phenyl carbonate?
You can request a quote for (2,4-d][1,3]dioxol-4-yl)methyl phenyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,4-d][1,3]dioxol-4-yl)methyl phenyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for (2,4-d][1,3]dioxol-4-yl)methyl phenyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.