9-Chloro-1,2,3,4-tetrahydro-1,4-methanonaphthalen-2-yl acetate
TL;DR: 9-Chloro-1,2,3,4-tetrahydro-1,4-methanonaphthalen-2-yl acetate (CAS 144087-28-5) is a chemical compound with molecular formula C13H13ClO2 and molecular weight 236.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11-chloro-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) acetate
Also Known As: 9-chloro-1,2,3,4-tetrahydro-1,4-methanonaphthalen-2-yl acetate
| Molecular Formula | C13H13ClO2 |
|---|---|
| Molecular Weight | 236.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.06041 |
| Heavy Atoms | 16 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 144087-28-5 |
|---|---|
| SMILES | CC(=O)OC1CC2C(C1C3=CC=CC=C23)Cl |
| InChIKey | NLHOTHYTGKMXGX-UHFFFAOYSA-N |
Product Overview
9-Chloro-1,2,3,4-tetrahydro-1,4-methanonaphthalen-2-yl acetate (CAS 144087-28-5), with molecular formula C13H13ClO2 and molecular weight 236.06 g/mol. IUPAC: (11-chloro-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) acetate.
Chemical Property Profile of 9-Chloro-1,2,3,4-tetrahydro-1,4-methanonaphthalen-2-yl acetate
Property Insights of 9-Chloro-1,2,3,4-tetrahydro-1,4-methanonaphthalen-2-yl acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Chloro-1,2,3,4-tetrahydro-1,4-methanonaphthalen-2-yl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 9-Chloro-1,2,3,4-tetrahydro-1,4-methanonaphthalen-2-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Chloro-1,2,3,4-tetrahydro-1,4-methanonaphthalen-2-yl acetate has 0 hydrogen bond donor(s) and 2 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 9-Chloro-1,2,3,4-tetrahydro-1,4-methanonaphthalen-2-yl acetate?
The CAS number of 9-Chloro-1,2,3,4-tetrahydro-1,4-methanonaphthalen-2-yl acetate is 144087-28-5.
What is the molecular formula of 9-Chloro-1,2,3,4-tetrahydro-1,4-methanonaphthalen-2-yl acetate?
The molecular formula of 9-Chloro-1,2,3,4-tetrahydro-1,4-methanonaphthalen-2-yl acetate is C13H13ClO2.
What is the molecular weight of 9-Chloro-1,2,3,4-tetrahydro-1,4-methanonaphthalen-2-yl acetate?
The molecular weight of 9-Chloro-1,2,3,4-tetrahydro-1,4-methanonaphthalen-2-yl acetate is 236.06 g/mol.
Where can I buy 9-Chloro-1,2,3,4-tetrahydro-1,4-methanonaphthalen-2-yl acetate?
You can request a quote for 9-Chloro-1,2,3,4-tetrahydro-1,4-methanonaphthalen-2-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Chloro-1,2,3,4-tetrahydro-1,4-methanonaphthalen-2-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 9-Chloro-1,2,3,4-tetrahydro-1,4-methanonaphthalen-2-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.