Methylene, phenyl-
TL;DR: Methylene, phenyl- (CAS 3101-08-4) is a chemical compound with molecular formula C7H6 and molecular weight 90.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylidenecyclohexa-1,3-diene
Also Known As: Phenylmethylene, phenylcarbene, phenylmethylidene, Benzylideneradical, Methylene, phenyl-
| Molecular Formula | C7H6 |
|---|---|
| Molecular Weight | 90.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 90.04695 |
| Heavy Atoms | 7 |
| Complexity | 113.0 |
Chemical Identifiers
| CAS Number | 3101-08-4 |
|---|---|
| SMILES | [CH+]=C1[CH-]C=CC=C1 |
| InChIKey | YJLSVCJDMFHEHC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methylene, phenyl- (CAS 3101-08-4), with molecular formula C7H6 and molecular weight 90.05 g/mol. IUPAC: 5-methylidenecyclohexa-1,3-diene.
Chemical Property Profile of Methylene, phenyl-
Property Insights of Methylene, phenyl-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylene, phenyl-. With a topological polar surface area (TPSA) of 0.0 Ų, Methylene, phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylene, phenyl- 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 Methylene, phenyl-?
The CAS number of Methylene, phenyl- is 3101-08-4.
What is the molecular formula of Methylene, phenyl-?
The molecular formula of Methylene, phenyl- is C7H6.
What is the molecular weight of Methylene, phenyl-?
The molecular weight of Methylene, phenyl- is 90.05 g/mol.
Where can I buy Methylene, phenyl-?
You can request a quote for Methylene, phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylene, phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Methylene, phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.