A3933/0167435
TL;DR: A3933/0167435 (CAS 879477-49-3) is a chemical compound with molecular formula C20H21N5O5S and molecular weight 443.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3-dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylacetamide
Also Known As: A3933/0167435, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3-dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylacetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide, 2-((7-allyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide
| Molecular Formula | C20H21N5O5S |
|---|---|
| Molecular Weight | 443.13 g/mol |
| LogP | 1.1217 |
| Topological Polar Surface Area | 109.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.12634 |
| Heavy Atoms | 31 |
| Complexity | 1306.0035 |
Chemical Identifiers
| CAS Number | 879477-49-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NC3=CC4=C(C=C3)OCCO4)CC=C |
Product Overview
A3933/0167435 (CAS 879477-49-3), with molecular formula C20H21N5O5S and molecular weight 443.13 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3-dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylacetamide.
Chemical Property Profile of A3933/0167435
Property Insights of A3933/0167435
The XLogP value of 1.1217 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3933/0167435. The TPSA of 109.38 Ų falls within the moderate polarity range, balancing permeability and solubility for A3933/0167435. Following Lipinski's Rule of Five, A3933/0167435 has 1 hydrogen bond donor(s) and 7 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 A3933/0167435?
The CAS number of A3933/0167435 is 879477-49-3.
What is the molecular formula of A3933/0167435?
The molecular formula of A3933/0167435 is C20H21N5O5S.
What is the molecular weight of A3933/0167435?
The molecular weight of A3933/0167435 is 443.13 g/mol.
Where can I buy A3933/0167435?
You can request a quote for A3933/0167435 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3933/0167435?
Yes, KEHONG BIO provides custom synthesis services for A3933/0167435 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.