Pentacyclo(4.2.0.02,5.03,8.04,7)octane, 1,4-dichloro-
TL;DR: Pentacyclo(4.2.0.02,5.03,8.04,7)octane, 1,4-dichloro- (CAS 97229-07-7) is a chemical compound with molecular formula C8H6Cl2 and molecular weight 171.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dichlorocubane
Also Known As: 1,4-dichlorocubane, 1,8-dichlorocubane, Pentacyclo(4.2.0.02,5.03,8.04,7)octane, 1,4-dichloro-, J1.105.547H, Pentacyclo[4.2.0.02,5.03,8.04,7]octane, 1,4-dichloro-
| Molecular Formula | C8H6Cl2 |
|---|---|
| Molecular Weight | 171.98 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 171.98465 |
| Heavy Atoms | 10 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 97229-07-7 |
|---|---|
| SMILES | C12C3C4C1(C5C2C3(C45)Cl)Cl |
| InChIKey | RUCMRNXYDGGQNI-UHFFFAOYSA-N |
Product Overview
Pentacyclo(4.2.0.02,5.03,8.04,7)octane, 1,4-dichloro- (CAS 97229-07-7), with molecular formula C8H6Cl2 and molecular weight 171.98 g/mol. IUPAC: 1,4-dichlorocubane.
Chemical Property Profile of Pentacyclo(4.2.0.02,5.03,8.04,7)octane, 1,4-dichloro-
Property Insights of Pentacyclo(4.2.0.02,5.03,8.04,7)octane, 1,4-dichloro-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentacyclo(4.2.0.02,5.03,8.04,7)octane, 1,4-dichloro-. With a topological polar surface area (TPSA) of 0.0 Ų, Pentacyclo(4.2.0.02,5.03,8.04,7)octane, 1,4-dichloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentacyclo(4.2.0.02,5.03,8.04,7)octane, 1,4-dichloro- 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 Pentacyclo(4.2.0.02,5.03,8.04,7)octane, 1,4-dichloro-?
The CAS number of Pentacyclo(4.2.0.02,5.03,8.04,7)octane, 1,4-dichloro- is 97229-07-7.
What is the molecular formula of Pentacyclo(4.2.0.02,5.03,8.04,7)octane, 1,4-dichloro-?
The molecular formula of Pentacyclo(4.2.0.02,5.03,8.04,7)octane, 1,4-dichloro- is C8H6Cl2.
What is the molecular weight of Pentacyclo(4.2.0.02,5.03,8.04,7)octane, 1,4-dichloro-?
The molecular weight of Pentacyclo(4.2.0.02,5.03,8.04,7)octane, 1,4-dichloro- is 171.98 g/mol.
Where can I buy Pentacyclo(4.2.0.02,5.03,8.04,7)octane, 1,4-dichloro-?
You can request a quote for Pentacyclo(4.2.0.02,5.03,8.04,7)octane, 1,4-dichloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentacyclo(4.2.0.02,5.03,8.04,7)octane, 1,4-dichloro-?
Yes, KEHONG BIO provides custom synthesis services for Pentacyclo(4.2.0.02,5.03,8.04,7)octane, 1,4-dichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.