Nabiximols
TL;DR: Nabiximols (CAS 56575-23-6) is a chemical compound with molecular formula C42H60O4 and molecular weight 628.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol;2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
Also Known As: Nabiximols, Tetranabinex, Sativex, Nabidiolex, Cannabinoids
| Molecular Formula | C42H60O4 |
|---|---|
| Molecular Weight | 628.45 g/mol |
| LogP | 11.5823 |
| Topological Polar Surface Area | 69.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 628.44916 |
| Heavy Atoms | 46 |
| Complexity | 1404.3538 |
Chemical Identifiers
| CAS Number | 56575-23-6 |
|---|---|
| SMILES | CCCCCC1=CC(=C(C(=C1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O.CCCCCC1=CC(=C2[C@@H]3C=C(CC[C@H]3C(OC2=C1)(C)C)C)O |
Product Overview
Nabiximols (CAS 56575-23-6), with molecular formula C42H60O4 and molecular weight 628.45 g/mol. IUPAC: (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol;2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol.
Chemical Property Profile of Nabiximols
Property Insights of Nabiximols
The XLogP value of 11.5823 indicates that Nabiximols is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.92 Ų falls within the moderate polarity range, balancing permeability and solubility for Nabiximols. Following Lipinski's Rule of Five, Nabiximols has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nabiximols?
The CAS number of Nabiximols is 56575-23-6.
What is the molecular formula of Nabiximols?
The molecular formula of Nabiximols is C42H60O4.
What is the molecular weight of Nabiximols?
The molecular weight of Nabiximols is 628.45 g/mol.
Where can I buy Nabiximols?
You can request a quote for Nabiximols directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nabiximols?
Yes, KEHONG BIO provides custom synthesis services for Nabiximols and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.