1,3-Dichloroadamantane
TL;DR: 1,3-Dichloroadamantane (CAS 16104-50-0) is a chemical compound with molecular formula C10H14Cl2 and molecular weight 204.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dichloroadamantane
Also Known As: 1,3-Dichloroadamantane, Adamantane, 1,3-dichloro, 1,3-dichloro adamantane, 1,3-Dichloroadamantane #, Adamantane, 1,3-dichloro-
| Molecular Formula | C10H14Cl2 |
|---|---|
| Molecular Weight | 204.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.04726 |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 16104-50-0 |
|---|---|
| SMILES | C1C2CC3(CC1CC(C2)(C3)Cl)Cl |
| InChIKey | DZLCQHWJVJXVES-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dichloroadamantane (CAS 16104-50-0), with molecular formula C10H14Cl2 and molecular weight 204.05 g/mol. IUPAC: 1,3-dichloroadamantane.
Chemical Property Profile of 1,3-Dichloroadamantane
Property Insights of 1,3-Dichloroadamantane
The XLogP value of 3.3 indicates that 1,3-Dichloroadamantane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Dichloroadamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dichloroadamantane 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 1,3-Dichloroadamantane?
The CAS number of 1,3-Dichloroadamantane is 16104-50-0.
What is the molecular formula of 1,3-Dichloroadamantane?
The molecular formula of 1,3-Dichloroadamantane is C10H14Cl2.
What is the molecular weight of 1,3-Dichloroadamantane?
The molecular weight of 1,3-Dichloroadamantane is 204.05 g/mol.
Where can I buy 1,3-Dichloroadamantane?
You can request a quote for 1,3-Dichloroadamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dichloroadamantane?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dichloroadamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.