NEOTRICHILINONE, 7-ACETYL-
TL;DR: NEOTRICHILINONE, 7-ACETYL- (CAS 18046-82-7) is a chemical compound with molecular formula C28H36O5 and molecular weight 452.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[17-(furan-3-yl)-4,4,8,10,13-pentamethyl-3,15-dioxo-6,7,9,11,12,14,16,17-octahydro-5H-cyclopenta[a]phenanthren-7-yl] acetate
Also Known As: NEOTRICHILINONE, 7-ACETYL-, [17-(furan-3-yl)-4,4,8,10,13-pentamethyl-3,15-dioxo-6,7,9,11,12,14,16,17-octahydro-5H-cyclopenta[a]phenanthren-7-yl] acetate, 17-(Furan-3-yl)-4,4,8-trimethyl-3,15-dioxoandrost-1-en-7-yl acetate
| Molecular Formula | C28H36O5 |
|---|---|
| Molecular Weight | 452.26 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 452.2563 |
| Heavy Atoms | 33 |
| Complexity | 919.0 |
Chemical Identifiers
| CAS Number | 18046-82-7 |
|---|---|
| SMILES | CC(=O)OC1CC2C(C(=O)C=CC2(C3C1(C4C(=O)CC(C4(CC3)C)C5=COC=C5)C)C)(C)C |
| InChIKey | YLKHFXUUZIHXPY-UHFFFAOYSA-N |
Product Overview
NEOTRICHILINONE, 7-ACETYL- (CAS 18046-82-7), with molecular formula C28H36O5 and molecular weight 452.26 g/mol. IUPAC: [17-(furan-3-yl)-4,4,8,10,13-pentamethyl-3,15-dioxo-6,7,9,11,12,14,16,17-octahydro-5H-cyclopenta[a]phenanthren-7-yl] acetate.
Chemical Property Profile of NEOTRICHILINONE, 7-ACETYL-
Property Insights of NEOTRICHILINONE, 7-ACETYL-
The XLogP value of 4.9 indicates that NEOTRICHILINONE, 7-ACETYL- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for NEOTRICHILINONE, 7-ACETYL-. Following Lipinski's Rule of Five, NEOTRICHILINONE, 7-ACETYL- has 0 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 NEOTRICHILINONE, 7-ACETYL-?
The CAS number of NEOTRICHILINONE, 7-ACETYL- is 18046-82-7.
What is the molecular formula of NEOTRICHILINONE, 7-ACETYL-?
The molecular formula of NEOTRICHILINONE, 7-ACETYL- is C28H36O5.
What is the molecular weight of NEOTRICHILINONE, 7-ACETYL-?
The molecular weight of NEOTRICHILINONE, 7-ACETYL- is 452.26 g/mol.
Where can I buy NEOTRICHILINONE, 7-ACETYL-?
You can request a quote for NEOTRICHILINONE, 7-ACETYL- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NEOTRICHILINONE, 7-ACETYL-?
Yes, KEHONG BIO provides custom synthesis services for NEOTRICHILINONE, 7-ACETYL- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.