(3-chloro-1-adamantyl)-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)methanone
TL;DR: (3-chloro-1-adamantyl)-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)methanone (CAS 900296-39-1) is a chemical compound with molecular formula C23H28ClNO3 and molecular weight 401.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-1-adamantyl)-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)methanone
Also Known As: (3-chloro-1-adamantyl)-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)methanone, ((1r,3r)-3-chloroadamantan-1-yl)(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)methanone, (3-chlorotricyclo[3.3.1.1~3,7~]dec-1-yl)(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)methanone
| Molecular Formula | C23H28ClNO3 |
|---|---|
| Molecular Weight | 401.18 g/mol |
| LogP | 4.637 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.17578 |
| Heavy Atoms | 28 |
| Complexity | 849.64856 |
Chemical Identifiers
| CAS Number | 900296-39-1 |
|---|---|
| SMILES | COC1=C(C=C2C(=C)N(CCC2=C1)C(=O)C34CC5CC(C3)CC(C5)(C4)Cl)OC |
Product Overview
(3-chloro-1-adamantyl)-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)methanone (CAS 900296-39-1), with molecular formula C23H28ClNO3 and molecular weight 401.18 g/mol. IUPAC: (3-chloro-1-adamantyl)-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)methanone.
Chemical Property Profile of (3-chloro-1-adamantyl)-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)methanone
Property Insights of (3-chloro-1-adamantyl)-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)methanone
The XLogP value of 4.637 indicates that (3-chloro-1-adamantyl)-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, (3-chloro-1-adamantyl)-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-chloro-1-adamantyl)-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)methanone has 0 hydrogen bond donor(s) and 3 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 (3-chloro-1-adamantyl)-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)methanone?
The CAS number of (3-chloro-1-adamantyl)-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)methanone is 900296-39-1.
What is the molecular formula of (3-chloro-1-adamantyl)-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)methanone?
The molecular formula of (3-chloro-1-adamantyl)-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)methanone is C23H28ClNO3.
What is the molecular weight of (3-chloro-1-adamantyl)-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)methanone?
The molecular weight of (3-chloro-1-adamantyl)-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)methanone is 401.18 g/mol.
Where can I buy (3-chloro-1-adamantyl)-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)methanone?
You can request a quote for (3-chloro-1-adamantyl)-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-chloro-1-adamantyl)-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3-chloro-1-adamantyl)-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.