3-丙基双环(2.2.1)庚-5-烯-2-甲醛
TL;DR: 3-丙基双环(2.2.1)庚-5-烯-2-甲醛 (CAS 51175-80-5) is a chemical compound with molecular formula C11H16O and molecular weight 164.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-丙基双环(2.2.1)庚-5-烯-2-甲醛
3-propylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
Also Known As: Chrysanthal, chrysanthemum carbaldehyde, 3-propylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde, 3-Propylbicyclo(2.2.1)hept-5-ene-2-carbaldehyde, 3-Propylbicyclo(2.2.1)hept-5-ene-2-carboxaldehyde
| Molecular Formula | C11H16O |
|---|---|
| Molecular Weight | 164.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.12012 |
| Heavy Atoms | 12 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 51175-80-5 |
|---|---|
| SMILES | CCCC1C2CC(C1C=O)C=C2 |
| InChIKey | RPJGEHBYOXRURE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-丙基双环(2.2.1)庚-5-烯-2-甲醛 (CAS 51175-80-5), with molecular formula C11H16O and molecular weight 164.12 g/mol. IUPAC: 3-propylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde.
Chemical Property Profile of 3-丙基双环(2.2.1)庚-5-烯-2-甲醛
Property Insights of 3-丙基双环(2.2.1)庚-5-烯-2-甲醛
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-丙基双环(2.2.1)庚-5-烯-2-甲醛. With a topological polar surface area (TPSA) of 17.1 Ų, 3-丙基双环(2.2.1)庚-5-烯-2-甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-丙基双环(2.2.1)庚-5-烯-2-甲醛 has 0 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 3-丙基双环(2.2.1)庚-5-烯-2-甲醛?
The CAS number of 3-丙基双环(2.2.1)庚-5-烯-2-甲醛 is 51175-80-5.
What is the molecular formula of 3-丙基双环(2.2.1)庚-5-烯-2-甲醛?
The molecular formula of 3-丙基双环(2.2.1)庚-5-烯-2-甲醛 is C11H16O.
What is the molecular weight of 3-丙基双环(2.2.1)庚-5-烯-2-甲醛?
The molecular weight of 3-丙基双环(2.2.1)庚-5-烯-2-甲醛 is 164.12 g/mol.
Where can I buy 3-丙基双环(2.2.1)庚-5-烯-2-甲醛?
You can request a quote for 3-丙基双环(2.2.1)庚-5-烯-2-甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-丙基双环(2.2.1)庚-5-烯-2-甲醛?
Yes, KEHONG BIO provides custom synthesis services for 3-丙基双环(2.2.1)庚-5-烯-2-甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.