4'-Hydroxybutobarbitone
TL;DR: 4'-Hydroxybutobarbitone (CAS 86817-77-8) is a chemical compound with molecular formula C10H16N2O4 and molecular weight 228.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-5-(4-hydroxybutyl)-1,3-diazinane-2,4,6-trione
Also Known As: 4'-Hydroxybutobarbitone, 5-ethyl-5-(4-hydroxybutyl)-1,3-diazinane-2,4,6-trione, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(4-hydroxybutyl)-, RefChem:96006
| Molecular Formula | C10H16N2O4 |
|---|---|
| Molecular Weight | 228.11 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.11101 |
| Heavy Atoms | 16 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 86817-77-8 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)NC1=O)CCCCO |
| InChIKey | YTGNOIAJHDHZQX-UHFFFAOYSA-N |
Product Overview
4'-Hydroxybutobarbitone (CAS 86817-77-8), with molecular formula C10H16N2O4 and molecular weight 228.11 g/mol. IUPAC: 5-ethyl-5-(4-hydroxybutyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 4'-Hydroxybutobarbitone
Property Insights of 4'-Hydroxybutobarbitone
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Hydroxybutobarbitone. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Hydroxybutobarbitone. Following Lipinski's Rule of Five, 4'-Hydroxybutobarbitone has 3 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'-Hydroxybutobarbitone?
The CAS number of 4'-Hydroxybutobarbitone is 86817-77-8.
What is the molecular formula of 4'-Hydroxybutobarbitone?
The molecular formula of 4'-Hydroxybutobarbitone is C10H16N2O4.
What is the molecular weight of 4'-Hydroxybutobarbitone?
The molecular weight of 4'-Hydroxybutobarbitone is 228.11 g/mol.
Where can I buy 4'-Hydroxybutobarbitone?
You can request a quote for 4'-Hydroxybutobarbitone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Hydroxybutobarbitone?
Yes, KEHONG BIO provides custom synthesis services for 4'-Hydroxybutobarbitone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.