4-Hydroxy-5-(1-hydroxybutan-2-ylamino)-3,6-dimethylcyclohexa-3,5-diene-1,2-dione
TL;DR: 4-Hydroxy-5-(1-hydroxybutan-2-ylamino)-3,6-dimethylcyclohexa-3,5-diene-1,2-dione (CAS 29441-85-8) is a chemical compound with molecular formula C12H17NO4 and molecular weight 239.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-5-(1-hydroxybutan-2-ylamino)-3,6-dimethylcyclohexa-3,5-diene-1,2-dione
Also Known As: p-Benzoquinone, 2-hydroxy-5-[[1-(hydroxymethyl)propyl]amino]-3,6-dimethyl-, 4-hydroxy-5-(1-hydroxybutan-2-ylamino)-3,6-dimethylcyclohexa-3,5-diene-1,2-dione, 2-Hydroxy-5-([1-(hydroxymethyl)propyl]amino)-3,6-dimethylbenzo-1,4-quinone, 2-Hydroxy-5-([1-(hydroxymethyl)propyl]amino)-3,6-dimethylbenzo-1,4-quinone #, 2-hydroxy-5-[(1-hydroxybutan-2-yl)amino]-3,6-dimethylcyclohexa-2,5-diene-1,4-dione
| Molecular Formula | C12H17NO4 |
|---|---|
| Molecular Weight | 239.12 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.11575 |
| Heavy Atoms | 17 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 29441-85-8 |
|---|---|
| SMILES | CCC(CO)NC1=C(C(=O)C(=O)C(=C1O)C)C |
| InChIKey | JIGBZCQVPAUQAP-UHFFFAOYSA-N |
Product Overview
4-Hydroxy-5-(1-hydroxybutan-2-ylamino)-3,6-dimethylcyclohexa-3,5-diene-1,2-dione (CAS 29441-85-8), with molecular formula C12H17NO4 and molecular weight 239.12 g/mol. IUPAC: 4-hydroxy-5-(1-hydroxybutan-2-ylamino)-3,6-dimethylcyclohexa-3,5-diene-1,2-dione.
Chemical Property Profile of 4-Hydroxy-5-(1-hydroxybutan-2-ylamino)-3,6-dimethylcyclohexa-3,5-diene-1,2-dione
Property Insights of 4-Hydroxy-5-(1-hydroxybutan-2-ylamino)-3,6-dimethylcyclohexa-3,5-diene-1,2-dione
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-5-(1-hydroxybutan-2-ylamino)-3,6-dimethylcyclohexa-3,5-diene-1,2-dione. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-5-(1-hydroxybutan-2-ylamino)-3,6-dimethylcyclohexa-3,5-diene-1,2-dione. Following Lipinski's Rule of Five, 4-Hydroxy-5-(1-hydroxybutan-2-ylamino)-3,6-dimethylcyclohexa-3,5-diene-1,2-dione has 3 hydrogen bond donor(s) and 5 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-Hydroxy-5-(1-hydroxybutan-2-ylamino)-3,6-dimethylcyclohexa-3,5-diene-1,2-dione?
The CAS number of 4-Hydroxy-5-(1-hydroxybutan-2-ylamino)-3,6-dimethylcyclohexa-3,5-diene-1,2-dione is 29441-85-8.
What is the molecular formula of 4-Hydroxy-5-(1-hydroxybutan-2-ylamino)-3,6-dimethylcyclohexa-3,5-diene-1,2-dione?
The molecular formula of 4-Hydroxy-5-(1-hydroxybutan-2-ylamino)-3,6-dimethylcyclohexa-3,5-diene-1,2-dione is C12H17NO4.
What is the molecular weight of 4-Hydroxy-5-(1-hydroxybutan-2-ylamino)-3,6-dimethylcyclohexa-3,5-diene-1,2-dione?
The molecular weight of 4-Hydroxy-5-(1-hydroxybutan-2-ylamino)-3,6-dimethylcyclohexa-3,5-diene-1,2-dione is 239.12 g/mol.
Where can I buy 4-Hydroxy-5-(1-hydroxybutan-2-ylamino)-3,6-dimethylcyclohexa-3,5-diene-1,2-dione?
You can request a quote for 4-Hydroxy-5-(1-hydroxybutan-2-ylamino)-3,6-dimethylcyclohexa-3,5-diene-1,2-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-5-(1-hydroxybutan-2-ylamino)-3,6-dimethylcyclohexa-3,5-diene-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-5-(1-hydroxybutan-2-ylamino)-3,6-dimethylcyclohexa-3,5-diene-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.