1,7-Cyclotridecadiyne
TL;DR: 1,7-Cyclotridecadiyne (CAS 4533-25-9) is a chemical compound with molecular formula C13H18 and molecular weight 174.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclotrideca-1,7-diyne
Also Known As: 1,7-Cyclotridecadiyne, cyclotrideca-1,7-diyne, PAMIDRONIC ACID, Cyclotridecadiin-(1,7), RefChem:73667
| Molecular Formula | C13H18 |
|---|---|
| Molecular Weight | 174.14 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 174.14085 |
| Heavy Atoms | 13 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 4533-25-9 |
|---|---|
| SMILES | C1CCC#CCCCCC#CCC1 |
| InChIKey | JJCWLXCBUFGPRY-UHFFFAOYSA-N |
Product Overview
1,7-Cyclotridecadiyne (CAS 4533-25-9), with molecular formula C13H18 and molecular weight 174.14 g/mol. IUPAC: cyclotrideca-1,7-diyne.
Chemical Property Profile of 1,7-Cyclotridecadiyne
Property Insights of 1,7-Cyclotridecadiyne
The XLogP value of 4.7 indicates that 1,7-Cyclotridecadiyne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,7-Cyclotridecadiyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,7-Cyclotridecadiyne has 0 hydrogen bond donor(s) and 0 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 1,7-Cyclotridecadiyne?
The CAS number of 1,7-Cyclotridecadiyne is 4533-25-9.
What is the molecular formula of 1,7-Cyclotridecadiyne?
The molecular formula of 1,7-Cyclotridecadiyne is C13H18.
What is the molecular weight of 1,7-Cyclotridecadiyne?
The molecular weight of 1,7-Cyclotridecadiyne is 174.14 g/mol.
Where can I buy 1,7-Cyclotridecadiyne?
You can request a quote for 1,7-Cyclotridecadiyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,7-Cyclotridecadiyne?
Yes, KEHONG BIO provides custom synthesis services for 1,7-Cyclotridecadiyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.