p-Hydroxybuprofezin
TL;DR: p-Hydroxybuprofezin (CAS 69329-95-9) is a chemical compound with molecular formula C16H23N3O2S and molecular weight 321.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butylimino-5-(4-hydroxyphenyl)-3-propan-2-yl-1,3,5-thiadiazinan-4-one
Also Known As: p-Hydroxybuprofezin, 2-((1,1-DIMETHYLETHYL)IMINO)TETRAHYDRO-5-(4-HYD*, 2-tert-butylimino-5-(4-hydroxyphenyl)-3-propan-2-yl-1,3,5-thiadiazinan-4-one, 4H-1,3,5-Thiadiazin-4-one, 2-((1,1-dimethylethyl)amino)tetrahydro-5-(4-hydroxyphenyl)-3-(1-methylethyl)-, (Z)-2-(tert-butylimino)-5-(4-hydroxyphenyl)-3-isopropyl-1,3,5-thiadiazinan-4-one
| Molecular Formula | C16H23N3O2S |
|---|---|
| Molecular Weight | 321.15 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.1511 |
| Heavy Atoms | 22 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 69329-95-9 |
|---|---|
| SMILES | CC(C)N1C(=NC(C)(C)C)SCN(C1=O)C2=CC=C(C=C2)O |
| InChIKey | DJKGEYBKPKGLCN-UHFFFAOYSA-N |
Product Overview
p-Hydroxybuprofezin (CAS 69329-95-9), with molecular formula C16H23N3O2S and molecular weight 321.15 g/mol. IUPAC: 2-tert-butylimino-5-(4-hydroxyphenyl)-3-propan-2-yl-1,3,5-thiadiazinan-4-one.
Chemical Property Profile of p-Hydroxybuprofezin
Property Insights of p-Hydroxybuprofezin
The XLogP value of 3.4 indicates that p-Hydroxybuprofezin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Hydroxybuprofezin. Following Lipinski's Rule of Five, p-Hydroxybuprofezin has 1 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 p-Hydroxybuprofezin?
The CAS number of p-Hydroxybuprofezin is 69329-95-9.
What is the molecular formula of p-Hydroxybuprofezin?
The molecular formula of p-Hydroxybuprofezin is C16H23N3O2S.
What is the molecular weight of p-Hydroxybuprofezin?
The molecular weight of p-Hydroxybuprofezin is 321.15 g/mol.
Where can I buy p-Hydroxybuprofezin?
You can request a quote for p-Hydroxybuprofezin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Hydroxybuprofezin?
Yes, KEHONG BIO provides custom synthesis services for p-Hydroxybuprofezin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.