Sodwanone I
TL;DR: Sodwanone I (CAS 172923-51-2) is a chemical compound with molecular formula C29H48O5 and molecular weight 476.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1S,2S,5R,7S)-1-[2-[(2S,3S,6S,9S)-9-hydroxy-3,8,8-trimethyl-7,12-dioxatricyclo[7.2.1.01,6]dodecan-2-yl]ethyl]-2,7-dimethyl-6-oxabicyclo[3.1.1]heptan-7-yl]-4-methylpentan-3-one
Also Known As: Sodwanone I, 1-((1R,2S,5S,7S)-1-(2-((2S,3S,6S,9R)-9-hydroxy-2,3,8,8-tetramethyl-7,12-dioxatricyclo(7.2.1.01,6)dodecan-2-yl)ethyl)-2,7-dimethyl-6-oxabicyclo(3.1.1)heptan-7-yl)-4-methylpentan-3-one, 1-[(1S,2S,5R,7S)-1-{2-[(3S,6S,7S,9aS)-3-Hydroxy-2,2,7-trimethyloctahydro-6H-3,5a-epoxy-1-benzoxepin-6-yl]ethyl}-2,7-dimethyl-6-oxabicyclo[3.1.1]heptan-7-yl]-4-methylpentan-3-one, 1-{1-[2-(3-Hydroxy-2,2,7-trimethyloctahydro-6H-3,5a-epoxy-1-benzoxepin-6-yl)ethyl]-2,7-dimethyl-6-oxabicyclo[3.1.1]heptan-7-yl}-4-methylpentan-3-one, RefChem:184163
| Molecular Formula | C29H48O5 |
|---|---|
| Molecular Weight | 476.35 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.3502 |
| Heavy Atoms | 34 |
| Complexity | 823.0 |
Chemical Identifiers
| CAS Number | 172923-51-2 |
|---|---|
| SMILES | C[C@H]1CC[C@H]2C3([C@H]1CC[C@]45[C@H](CC[C@H]([C@]4(C)CCC(=O)C(C)C)O5)C)CC[C@](O3)(C(O2)(C)C)O |
| InChIKey | JMKWPWJEDBOXRU-KUSLISFGSA-N |
Product Overview
Sodwanone I (CAS 172923-51-2), with molecular formula C29H48O5 and molecular weight 476.35 g/mol. IUPAC: 1-[(1S,2S,5R,7S)-1-[2-[(2S,3S,6S,9S)-9-hydroxy-3,8,8-trimethyl-7,12-dioxatricyclo[7.2.1.01,6]dodecan-2-yl]ethyl]-2,7-dimethyl-6-oxabicyclo[3.1.1]heptan-7-yl]-4-methylpentan-3-one.
Chemical Property Profile of Sodwanone I
Property Insights of Sodwanone I
The XLogP value of 4.9 indicates that Sodwanone I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sodwanone I. Following Lipinski's Rule of Five, Sodwanone I has 1 hydrogen bond donor(s) and 5 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 Sodwanone I?
The CAS number of Sodwanone I is 172923-51-2.
What is the molecular formula of Sodwanone I?
The molecular formula of Sodwanone I is C29H48O5.
What is the molecular weight of Sodwanone I?
The molecular weight of Sodwanone I is 476.35 g/mol.
Where can I buy Sodwanone I?
You can request a quote for Sodwanone I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodwanone I?
Yes, KEHONG BIO provides custom synthesis services for Sodwanone I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.