3-(Thymin-1'-yl)-2-propenal
TL;DR: 3-(Thymin-1'-yl)-2-propenal (CAS 85394-19-0) is a chemical compound with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enal
Also Known As: Thymine propenal, TNPP, 3-(Thymin-1'-yl)-2-propenal, Thymine-N(1)-2-propenal, 1-(3-Oxo-1-propenyl)thymine
| Molecular Formula | C8H8N2O3 |
|---|---|
| Molecular Weight | 180.05 g/mol |
| LogP | -0.48538 |
| Topological Polar Surface Area | 71.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.0535 |
| Heavy Atoms | 13 |
| Complexity | 453.19232 |
Chemical Identifiers
| CAS Number | 85394-19-0 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)/C=C/C=O |
Product Overview
3-(Thymin-1'-yl)-2-propenal (CAS 85394-19-0), with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol. IUPAC: (E)-3-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enal.
Chemical Property Profile of 3-(Thymin-1'-yl)-2-propenal
Property Insights of 3-(Thymin-1'-yl)-2-propenal
The XLogP value of -0.48538 indicates that 3-(Thymin-1'-yl)-2-propenal is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 71.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Thymin-1'-yl)-2-propenal. Following Lipinski's Rule of Five, 3-(Thymin-1'-yl)-2-propenal has 1 hydrogen bond donor(s) and 3 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 3-(Thymin-1'-yl)-2-propenal?
The CAS number of 3-(Thymin-1'-yl)-2-propenal is 85394-19-0.
What is the molecular formula of 3-(Thymin-1'-yl)-2-propenal?
The molecular formula of 3-(Thymin-1'-yl)-2-propenal is C8H8N2O3.
What is the molecular weight of 3-(Thymin-1'-yl)-2-propenal?
The molecular weight of 3-(Thymin-1'-yl)-2-propenal is 180.05 g/mol.
Where can I buy 3-(Thymin-1'-yl)-2-propenal?
You can request a quote for 3-(Thymin-1'-yl)-2-propenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Thymin-1'-yl)-2-propenal?
Yes, KEHONG BIO provides custom synthesis services for 3-(Thymin-1'-yl)-2-propenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.