4,7-Methano-1H-indene, octahydro-5-isothiocyanato-, (3aR,4S,5R,7S,7aR)-rel-
TL;DR: 4,7-Methano-1H-indene, octahydro-5-isothiocyanato-, (3aR,4S,5R,7S,7aR)-rel- (CAS 72403-62-4) is a chemical compound with molecular formula C11H15NS and molecular weight 193.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,6R,7R,8R)-8-isothiocyanatotricyclo[5.2.1.02,6]decane
Also Known As: exo-5-Isothiocyanotetrahydro-endo-dicylclopentadiene, 4,7-Methano-1H-indene, octahydro-5-isothiocyanato-, (3aR,4S,5R,7S,7aR)-rel-, 4,7-Methano-1H-indene, octahydro-5-isothiocyanato-, (3a.alpha.,4.alpha.,5.alpha.,7.alpha.,7a.alpha.)-, RefChem:508314
| Molecular Formula | C11H15NS |
|---|---|
| Molecular Weight | 193.09 g/mol |
| LogP | 2.9139 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.09251 |
| Heavy Atoms | 13 |
| Complexity | 269.26385 |
Chemical Identifiers
| CAS Number | 72403-62-4 |
|---|---|
| SMILES | C1C[C@H]2[C@@H](C1)[C@H]3C[C@@H]2C[C@H]3N=C=S |
Product Overview
4,7-Methano-1H-indene, octahydro-5-isothiocyanato-, (3aR,4S,5R,7S,7aR)-rel- (CAS 72403-62-4), with molecular formula C11H15NS and molecular weight 193.09 g/mol. IUPAC: (1R,2R,6R,7R,8R)-8-isothiocyanatotricyclo[5.2.1.02,6]decane.
Chemical Property Profile of 4,7-Methano-1H-indene, octahydro-5-isothiocyanato-, (3aR,4S,5R,7S,7aR)-rel-
Property Insights of 4,7-Methano-1H-indene, octahydro-5-isothiocyanato-, (3aR,4S,5R,7S,7aR)-rel-
The XLogP value of 2.9139 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7-Methano-1H-indene, octahydro-5-isothiocyanato-, (3aR,4S,5R,7S,7aR)-rel-. With a topological polar surface area (TPSA) of 12.36 Ų, 4,7-Methano-1H-indene, octahydro-5-isothiocyanato-, (3aR,4S,5R,7S,7aR)-rel- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,7-Methano-1H-indene, octahydro-5-isothiocyanato-, (3aR,4S,5R,7S,7aR)-rel- 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 4,7-Methano-1H-indene, octahydro-5-isothiocyanato-, (3aR,4S,5R,7S,7aR)-rel-?
The CAS number of 4,7-Methano-1H-indene, octahydro-5-isothiocyanato-, (3aR,4S,5R,7S,7aR)-rel- is 72403-62-4.
What is the molecular formula of 4,7-Methano-1H-indene, octahydro-5-isothiocyanato-, (3aR,4S,5R,7S,7aR)-rel-?
The molecular formula of 4,7-Methano-1H-indene, octahydro-5-isothiocyanato-, (3aR,4S,5R,7S,7aR)-rel- is C11H15NS.
What is the molecular weight of 4,7-Methano-1H-indene, octahydro-5-isothiocyanato-, (3aR,4S,5R,7S,7aR)-rel-?
The molecular weight of 4,7-Methano-1H-indene, octahydro-5-isothiocyanato-, (3aR,4S,5R,7S,7aR)-rel- is 193.09 g/mol.
Where can I buy 4,7-Methano-1H-indene, octahydro-5-isothiocyanato-, (3aR,4S,5R,7S,7aR)-rel-?
You can request a quote for 4,7-Methano-1H-indene, octahydro-5-isothiocyanato-, (3aR,4S,5R,7S,7aR)-rel- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7-Methano-1H-indene, octahydro-5-isothiocyanato-, (3aR,4S,5R,7S,7aR)-rel-?
Yes, KEHONG BIO provides custom synthesis services for 4,7-Methano-1H-indene, octahydro-5-isothiocyanato-, (3aR,4S,5R,7S,7aR)-rel- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.