Diisocyanoadociane
TL;DR: Diisocyanoadociane (CAS 6635-90-1) is a chemical compound with molecular formula C22H32N2 and molecular weight 324.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,3aS,5aS,6S,8aR,9S,10aS,10bS,10cS)-3,6-diisocyano-2,3,6,9-tetramethyl-1,2,3a,4,5,5a,7,8,8a,9,10,10a,10b,10c-tetradecahydropyrene
Also Known As: Diisocyanoadociane, 7,20-Diisocyanoacociane, 7,20-Diisocyanoadociane, XLVAONKBFLGZSE-OXEUSEQRSA-, Pyrene, hexadecahydro-1,8-diisocyano-1,2,5,8-tetramethyl-
| Molecular Formula | C22H32N2 |
|---|---|
| Molecular Weight | 324.26 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 8.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 324.25656 |
| Heavy Atoms | 24 |
| Complexity | 635.0 |
Chemical Identifiers
| CAS Number | 6635-90-1 |
|---|---|
| SMILES | C[C@H]1C[C@H]2C[C@H]([C@@]([C@@H]3[C@@H]2[C@@H]4[C@@H]1CC[C@]([C@H]4CC3)(C)[N+]#[C-])(C)[N+]#[C-])C |
| InChIKey | XLVAONKBFLGZSE-OXEUSEQRSA-N |
Product Overview
Diisocyanoadociane (CAS 6635-90-1), with molecular formula C22H32N2 and molecular weight 324.26 g/mol. IUPAC: (2R,3R,3aS,5aS,6S,8aR,9S,10aS,10bS,10cS)-3,6-diisocyano-2,3,6,9-tetramethyl-1,2,3a,4,5,5a,7,8,8a,9,10,10a,10b,10c-tetradecahydropyrene.
Chemical Property Profile of Diisocyanoadociane
Property Insights of Diisocyanoadociane
The XLogP value of 4.6 indicates that Diisocyanoadociane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 8.7 Ų, Diisocyanoadociane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisocyanoadociane 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 Diisocyanoadociane?
The CAS number of Diisocyanoadociane is 6635-90-1.
What is the molecular formula of Diisocyanoadociane?
The molecular formula of Diisocyanoadociane is C22H32N2.
What is the molecular weight of Diisocyanoadociane?
The molecular weight of Diisocyanoadociane is 324.26 g/mol.
Where can I buy Diisocyanoadociane?
You can request a quote for Diisocyanoadociane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisocyanoadociane?
Yes, KEHONG BIO provides custom synthesis services for Diisocyanoadociane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.