1,4-Dihydropentalene
TL;DR: 1,4-Dihydropentalene (CAS 61771-84-4) is a chemical compound with molecular formula C8H8 and molecular weight 104.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dihydropentalene
Also Known As: 1,4-Dihydropentalene, Pentalene,1,4-dihydro, Pentalene, 1,4-dihydro-, J1.383.743K
| Molecular Formula | C8H8 |
|---|---|
| Molecular Weight | 104.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 104.0626 |
| Heavy Atoms | 8 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 61771-84-4 |
|---|---|
| SMILES | C1C=CC2=C1C=CC2 |
| InChIKey | SVQWSOXBNXJGQK-UHFFFAOYSA-N |
Product Overview
1,4-Dihydropentalene (CAS 61771-84-4), with molecular formula C8H8 and molecular weight 104.06 g/mol. IUPAC: 1,4-dihydropentalene.
Chemical Property Profile of 1,4-Dihydropentalene
Property Insights of 1,4-Dihydropentalene
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dihydropentalene. With a topological polar surface area (TPSA) of 0.0 Ų, 1,4-Dihydropentalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dihydropentalene 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 1,4-Dihydropentalene?
The CAS number of 1,4-Dihydropentalene is 61771-84-4.
What is the molecular formula of 1,4-Dihydropentalene?
The molecular formula of 1,4-Dihydropentalene is C8H8.
What is the molecular weight of 1,4-Dihydropentalene?
The molecular weight of 1,4-Dihydropentalene is 104.06 g/mol.
Where can I buy 1,4-Dihydropentalene?
You can request a quote for 1,4-Dihydropentalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dihydropentalene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dihydropentalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.