(4-OH-3-ureido-Bu)Thymine
TL;DR: (4-OH-3-ureido-Bu)Thymine (CAS 131652-63-6) is a chemical compound with molecular formula C10H16N4O4 and molecular weight 256.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-1-hydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butan-2-yl]urea
Also Known As: (4-OH-3-ureido-Bu)Thymine, 1-(3-R-4-hydroxy-3-ureido-butyl)thymine acyclonucleoside, Urea, (3-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)propyl)-, (R)-, [(1R)-1-(hydroxymethyl)-3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)propyl]urea, [(2R)-1-hydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butan-2-yl]urea
| Molecular Formula | C10H16N4O4 |
|---|---|
| Molecular Weight | 256.12 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.11716 |
| Heavy Atoms | 18 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 131652-63-6 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)CC[C@H](CO)NC(=O)N |
| InChIKey | MFSQMUVQSSBQBP-SSDOTTSWSA-N |
Product Overview
(4-OH-3-ureido-Bu)Thymine (CAS 131652-63-6), with molecular formula C10H16N4O4 and molecular weight 256.12 g/mol. IUPAC: [(2R)-1-hydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butan-2-yl]urea.
Chemical Property Profile of (4-OH-3-ureido-Bu)Thymine
Property Insights of (4-OH-3-ureido-Bu)Thymine
The XLogP value of -1.9 indicates that (4-OH-3-ureido-Bu)Thymine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-OH-3-ureido-Bu)Thymine. Following Lipinski's Rule of Five, (4-OH-3-ureido-Bu)Thymine has 4 hydrogen bond donor(s) and 4 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 (4-OH-3-ureido-Bu)Thymine?
The CAS number of (4-OH-3-ureido-Bu)Thymine is 131652-63-6.
What is the molecular formula of (4-OH-3-ureido-Bu)Thymine?
The molecular formula of (4-OH-3-ureido-Bu)Thymine is C10H16N4O4.
What is the molecular weight of (4-OH-3-ureido-Bu)Thymine?
The molecular weight of (4-OH-3-ureido-Bu)Thymine is 256.12 g/mol.
Where can I buy (4-OH-3-ureido-Bu)Thymine?
You can request a quote for (4-OH-3-ureido-Bu)Thymine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-OH-3-ureido-Bu)Thymine?
Yes, KEHONG BIO provides custom synthesis services for (4-OH-3-ureido-Bu)Thymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.