7-Phenylhept-2-en-4,6-diyn-1-ol
TL;DR: 7-Phenylhept-2-en-4,6-diyn-1-ol (CAS 7199-99-7) is a chemical compound with molecular formula C13H10O and molecular weight 182.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-phenylhept-2-en-4,6-diyn-1-ol
Also Known As: 2-Heptene-4,6-diyn-1-ol, 7-phenyl-, (E)-
| Molecular Formula | C13H10O |
|---|---|
| Molecular Weight | 182.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.07317 |
| Heavy Atoms | 14 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 7199-99-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CC#CC=CCO |
| InChIKey | ZCVJXGJSBVZTMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Phenylhept-2-en-4,6-diyn-1-ol (CAS 7199-99-7), with molecular formula C13H10O and molecular weight 182.07 g/mol. IUPAC: 7-phenylhept-2-en-4,6-diyn-1-ol.
Chemical Property Profile of 7-Phenylhept-2-en-4,6-diyn-1-ol
Property Insights of 7-Phenylhept-2-en-4,6-diyn-1-ol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Phenylhept-2-en-4,6-diyn-1-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 7-Phenylhept-2-en-4,6-diyn-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Phenylhept-2-en-4,6-diyn-1-ol has 1 hydrogen bond donor(s) and 1 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 7-Phenylhept-2-en-4,6-diyn-1-ol?
The CAS number of 7-Phenylhept-2-en-4,6-diyn-1-ol is 7199-99-7.
What is the molecular formula of 7-Phenylhept-2-en-4,6-diyn-1-ol?
The molecular formula of 7-Phenylhept-2-en-4,6-diyn-1-ol is C13H10O.
What is the molecular weight of 7-Phenylhept-2-en-4,6-diyn-1-ol?
The molecular weight of 7-Phenylhept-2-en-4,6-diyn-1-ol is 182.07 g/mol.
Where can I buy 7-Phenylhept-2-en-4,6-diyn-1-ol?
You can request a quote for 7-Phenylhept-2-en-4,6-diyn-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Phenylhept-2-en-4,6-diyn-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 7-Phenylhept-2-en-4,6-diyn-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.