Goniothalamicinone
TL;DR: Goniothalamicinone (CAS 170900-27-3) is a chemical compound with molecular formula C35H64O7 and molecular weight 596.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5R)-5-[(6R,9R)-6,9-dihydroxy-9-[(2R,5R)-5-[(1R)-1-hydroxypentadecyl]oxolan-2-yl]nonyl]-3-(2-oxopropyl)oxolan-2-one
Also Known As: Goniothalamicinone, 2,4-trans-Goniothalamicinone, (3S,5R)-5-[(6R,9R)-6,9-dihydroxy-9-[(2R,5R)-5-[(1R)-1-hydroxypentadecyl]oxolan-2-yl]nonyl]-3-(2-oxopropyl)oxolan-2-one, 5-(6,9-Dihydroxy-9-(tetrahydro-5-(1-hydroxypentadecyl)-2-furanyl)nonyl)dihydro-3-(2-oxopropyl)-2(3H)-furanone (2R-(2alpha(1(3S*,5R*),6R*,9R*),5beta(R*)))-, (3S)-3alpha-(2-Oxopropyl)-5beta-[(6R,9R)-6,9-dihydroxy-9-[[(2R)-5alpha-[(R)-1-hydroxypentadecyl]tetrahydrofuran]-2beta-yl]nonyl]dihydrofuran-2(3H)-one
| Molecular Formula | C35H64O7 |
|---|---|
| Molecular Weight | 596.47 g/mol |
| LogP | 8.4 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 26 |
| Exact Mass | 596.4652 |
| Heavy Atoms | 42 |
| Complexity | 713.0 |
Chemical Identifiers
| CAS Number | 170900-27-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@@H](CC[C@@H](CCCCC[C@@H]2C[C@H](C(=O)O2)CC(=O)C)O)O)O |
| InChIKey | DZWITTGSSIGAEW-VXPDQUSLSA-N |
Product Overview
Goniothalamicinone (CAS 170900-27-3), with molecular formula C35H64O7 and molecular weight 596.47 g/mol. IUPAC: (3S,5R)-5-[(6R,9R)-6,9-dihydroxy-9-[(2R,5R)-5-[(1R)-1-hydroxypentadecyl]oxolan-2-yl]nonyl]-3-(2-oxopropyl)oxolan-2-one.
Chemical Property Profile of Goniothalamicinone
Property Insights of Goniothalamicinone
The XLogP value of 8.4 indicates that Goniothalamicinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Goniothalamicinone. Following Lipinski's Rule of Five, Goniothalamicinone has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Goniothalamicinone?
The CAS number of Goniothalamicinone is 170900-27-3.
What is the molecular formula of Goniothalamicinone?
The molecular formula of Goniothalamicinone is C35H64O7.
What is the molecular weight of Goniothalamicinone?
The molecular weight of Goniothalamicinone is 596.47 g/mol.
Where can I buy Goniothalamicinone?
You can request a quote for Goniothalamicinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Goniothalamicinone?
Yes, KEHONG BIO provides custom synthesis services for Goniothalamicinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.