4-Hydroxyimino-3-methyl-1-phenylpent-1-yn-3-ol
TL;DR: 4-Hydroxyimino-3-methyl-1-phenylpent-1-yn-3-ol (CAS 718-21-8) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxyimino-3-methyl-1-phenylpent-1-yn-3-ol
Also Known As: (4E)-4-hydroxyimino-3-methyl-1-phenylpent-1-yn-3-ol
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 52.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 718-21-8 |
|---|---|
| SMILES | CC(=NO)C(C)(C#CC1=CC=CC=C1)O |
| InChIKey | OOBRKYBQULLXGD-UHFFFAOYSA-N |
Product Overview
4-Hydroxyimino-3-methyl-1-phenylpent-1-yn-3-ol (CAS 718-21-8), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: 4-hydroxyimino-3-methyl-1-phenylpent-1-yn-3-ol.
Chemical Property Profile of 4-Hydroxyimino-3-methyl-1-phenylpent-1-yn-3-ol
Property Insights of 4-Hydroxyimino-3-methyl-1-phenylpent-1-yn-3-ol
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxyimino-3-methyl-1-phenylpent-1-yn-3-ol. With a topological polar surface area (TPSA) of 52.8 Ų, 4-Hydroxyimino-3-methyl-1-phenylpent-1-yn-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxyimino-3-methyl-1-phenylpent-1-yn-3-ol has 2 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 4-Hydroxyimino-3-methyl-1-phenylpent-1-yn-3-ol?
The CAS number of 4-Hydroxyimino-3-methyl-1-phenylpent-1-yn-3-ol is 718-21-8.
What is the molecular formula of 4-Hydroxyimino-3-methyl-1-phenylpent-1-yn-3-ol?
The molecular formula of 4-Hydroxyimino-3-methyl-1-phenylpent-1-yn-3-ol is C12H13NO2.
What is the molecular weight of 4-Hydroxyimino-3-methyl-1-phenylpent-1-yn-3-ol?
The molecular weight of 4-Hydroxyimino-3-methyl-1-phenylpent-1-yn-3-ol is 203.09 g/mol.
Where can I buy 4-Hydroxyimino-3-methyl-1-phenylpent-1-yn-3-ol?
You can request a quote for 4-Hydroxyimino-3-methyl-1-phenylpent-1-yn-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxyimino-3-methyl-1-phenylpent-1-yn-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxyimino-3-methyl-1-phenylpent-1-yn-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.