NCI60_038667
TL;DR: NCI60_038667 (CAS 10267-31-9) is a chemical compound with molecular formula C20H36O2 and molecular weight 308.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,4aS,8aS)-1-(5-hydroxy-3-methylpent-3-enyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
Also Known As: NCI60_038667, (1r,2r,4as,8as)-1-(5-hydroxy-3-methyl-pent-3-enyl)-2,5,5,8a-tetramethyl-decalin-2-ol, (1R,2R,4aS,8aS)-1-((E)-5-hydroxy-3-methylpent-3-en-1-yl)-2,5,5,8a-tetramethyldecahydronaphthalen-2-ol, (1R,2R,4aS,8aS)-1-(5-hydroxy-3-methylpent-3-enyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol, (1R,2R,4AS,8AS)-1-[(3E)-5-HYDROXY-3-METHYLPENT-3-EN-1-YL]-2,5,5,8A-TETRAMETHYL-HEXAHYDRO-1H-NAPHTHALEN-2-OL
| Molecular Formula | C20H36O2 |
|---|---|
| Molecular Weight | 308.27 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.27155 |
| Heavy Atoms | 22 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 10267-31-9 |
|---|---|
| SMILES | CC(=CCO)CC[C@@H]1[C@]2(CCCC([C@@H]2CC[C@@]1(C)O)(C)C)C |
| InChIKey | LEOHDQKUMQKLMP-KVPLUYHFSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
NCI60_038667 (CAS 10267-31-9), with molecular formula C20H36O2 and molecular weight 308.27 g/mol. IUPAC: (1R,2R,4aS,8aS)-1-(5-hydroxy-3-methylpent-3-enyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol.
Chemical Property Profile of NCI60_038667
Property Insights of NCI60_038667
The XLogP value of 5.1 indicates that NCI60_038667 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, NCI60_038667 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_038667 has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_038667?
The CAS number of NCI60_038667 is 10267-31-9.
What is the molecular formula of NCI60_038667?
The molecular formula of NCI60_038667 is C20H36O2.
What is the molecular weight of NCI60_038667?
The molecular weight of NCI60_038667 is 308.27 g/mol.
Where can I buy NCI60_038667?
You can request a quote for NCI60_038667 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_038667?
Yes, KEHONG BIO provides custom synthesis services for NCI60_038667 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.