1-氯苯并环丁烯
TL;DR: 1-氯苯并环丁烯 (CAS 61599-88-0) is a chemical compound with molecular formula C8H7Cl and molecular weight 138.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-氯苯并环丁烯
7-chlorobicyclo[4.2.0]octa-1,3,5-triene
Also Known As: 1-Chlor-benzocyclobuten, 1-chlorobenzocyclobutene, 7-Chlorobicyclo[4.2.0]octa-1,3,5-triene, 1-Chloro-1,2-dihydrobenzocyclobutene, 2-chloro-1,2-dihydrocyclobutabenzene
| Molecular Formula | C8H7Cl |
|---|---|
| Molecular Weight | 138.02 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.02362 |
| Heavy Atoms | 9 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 61599-88-0 |
|---|---|
| SMILES | C1C(C2=CC=CC=C21)Cl |
| InChIKey | WTWLGTHCUYESQD-UHFFFAOYSA-N |
Product Overview
1-氯苯并环丁烯 (CAS 61599-88-0), with molecular formula C8H7Cl and molecular weight 138.02 g/mol. IUPAC: 7-chlorobicyclo[4.2.0]octa-1,3,5-triene.
Chemical Property Profile of 1-氯苯并环丁烯
Property Insights of 1-氯苯并环丁烯
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-氯苯并环丁烯. With a topological polar surface area (TPSA) of 0.0 Ų, 1-氯苯并环丁烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-氯苯并环丁烯 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-氯苯并环丁烯?
The CAS number of 1-氯苯并环丁烯 is 61599-88-0.
What is the molecular formula of 1-氯苯并环丁烯?
The molecular formula of 1-氯苯并环丁烯 is C8H7Cl.
What is the molecular weight of 1-氯苯并环丁烯?
The molecular weight of 1-氯苯并环丁烯 is 138.02 g/mol.
Where can I buy 1-氯苯并环丁烯?
You can request a quote for 1-氯苯并环丁烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-氯苯并环丁烯?
Yes, KEHONG BIO provides custom synthesis services for 1-氯苯并环丁烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.