2-Ncs-dizocilpine
TL;DR: 2-Ncs-dizocilpine (CAS 178979-75-4) is a chemical compound with molecular formula C17H14N2S and molecular weight 278.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-isothiocyanato-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene
Also Known As: 2-Ncs-dizocilpine, MK-801 2-isothiocyanate, 2-Isothiocyanato-5-methyl-10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5,10-imine, 5h-dibenzo[a,d]cyclohepten-5,10-imine, 10,11-dihydro-2-isothiocyanato-5-methyl-, 2-isothiocyanato-5-methyl-10,11-dihydro-5H-dibenzo cyclohepten-5,10-imine
| Molecular Formula | C17H14N2S |
|---|---|
| Molecular Weight | 278.09 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 278.08777 |
| Heavy Atoms | 20 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 178979-75-4 |
|---|---|
| SMILES | CC12C3=C(CC(N1)C4=CC=CC=C24)C=C(C=C3)N=C=S |
| InChIKey | SAPCJZOHSAJPDX-UHFFFAOYSA-N |
Product Overview
2-Ncs-dizocilpine (CAS 178979-75-4), with molecular formula C17H14N2S and molecular weight 278.09 g/mol. IUPAC: 5-isothiocyanato-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene.
Chemical Property Profile of 2-Ncs-dizocilpine
Property Insights of 2-Ncs-dizocilpine
The XLogP value of 4.2 indicates that 2-Ncs-dizocilpine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.5 Ų, 2-Ncs-dizocilpine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ncs-dizocilpine has 1 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 2-Ncs-dizocilpine?
The CAS number of 2-Ncs-dizocilpine is 178979-75-4.
What is the molecular formula of 2-Ncs-dizocilpine?
The molecular formula of 2-Ncs-dizocilpine is C17H14N2S.
What is the molecular weight of 2-Ncs-dizocilpine?
The molecular weight of 2-Ncs-dizocilpine is 278.09 g/mol.
Where can I buy 2-Ncs-dizocilpine?
You can request a quote for 2-Ncs-dizocilpine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ncs-dizocilpine?
Yes, KEHONG BIO provides custom synthesis services for 2-Ncs-dizocilpine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.