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10,11-二氢-5-甲基-5H-二苯并[a,d]环庚烯-5,10-亚胺
TL;DR: 10,11-二氢-5-甲基-5H-二苯并[a,d]环庚烯-5,10-亚胺 (CAS 70449-94-4) is a chemical compound with molecular formula C16H15N and molecular weight 221.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10,11-二氢-5-甲基-5H-二苯并[a,d]环庚烯-5,10-亚胺
1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene
Also Known As: Neurogard, DIZOCILPINE, [3H]dizocilpine, (Rac)-Dizocilpine, Dizocilpine [INN]
| Molecular Formula | C16H15N |
|---|---|
| Molecular Weight | 221.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 221.12045 |
| Heavy Atoms | 17 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 70449-94-4 |
|---|---|
| SMILES | CC12C3=CC=CC=C3CC(N1)C4=CC=CC=C24 |
| InChIKey | LBOJYSIDWZQNJS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
10,11-二氢-5-甲基-5H-二苯并[a,d]环庚烯-5,10-亚胺 (CAS 70449-94-4), with molecular formula C16H15N and molecular weight 221.12 g/mol. IUPAC: 1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene.
Chemical Property Profile of 10,11-二氢-5-甲基-5H-二苯并[a,d]环庚烯-5,10-亚胺
Property Insights of 10,11-二氢-5-甲基-5H-二苯并[a,d]环庚烯-5,10-亚胺
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 10,11-二氢-5-甲基-5H-二苯并[a,d]环庚烯-5,10-亚胺. With a topological polar surface area (TPSA) of 12.0 Ų, 10,11-二氢-5-甲基-5H-二苯并[a,d]环庚烯-5,10-亚胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10,11-二氢-5-甲基-5H-二苯并[a,d]环庚烯-5,10-亚胺 has 1 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 10,11-二氢-5-甲基-5H-二苯并[a,d]环庚烯-5,10-亚胺?
The CAS number of 10,11-二氢-5-甲基-5H-二苯并[a,d]环庚烯-5,10-亚胺 is 70449-94-4.
What is the molecular formula of 10,11-二氢-5-甲基-5H-二苯并[a,d]环庚烯-5,10-亚胺?
The molecular formula of 10,11-二氢-5-甲基-5H-二苯并[a,d]环庚烯-5,10-亚胺 is C16H15N.
What is the molecular weight of 10,11-二氢-5-甲基-5H-二苯并[a,d]环庚烯-5,10-亚胺?
The molecular weight of 10,11-二氢-5-甲基-5H-二苯并[a,d]环庚烯-5,10-亚胺 is 221.12 g/mol.
Where can I buy 10,11-二氢-5-甲基-5H-二苯并[a,d]环庚烯-5,10-亚胺?
You can request a quote for 10,11-二氢-5-甲基-5H-二苯并[a,d]环庚烯-5,10-亚胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10,11-二氢-5-甲基-5H-二苯并[a,d]环庚烯-5,10-亚胺?
Yes, KEHONG BIO provides custom synthesis services for 10,11-二氢-5-甲基-5H-二苯并[a,d]环庚烯-5,10-亚胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.