7-Propyl spirolactone
TL;DR: 7-Propyl spirolactone (CAS 76676-33-0) is a chemical compound with molecular formula C25H36O3 and molecular weight 384.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-7-propan-2-ylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
Also Known As: 7-propyl spirolactone, RU 26752, KST-1A8349, SID:164026944, (7S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-7-propan-2-ylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
| Molecular Formula | C25H36O3 |
|---|---|
| Molecular Weight | 384.27 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 384.26645 |
| Heavy Atoms | 28 |
| Complexity | 751.0 |
Chemical Identifiers
| CAS Number | 76676-33-0 |
|---|---|
| SMILES | CC(C)[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C |
| InChIKey | GIMMPTDKHYFNQT-BTRFTSHOSA-N |
Product Overview
7-Propyl spirolactone (CAS 76676-33-0), with molecular formula C25H36O3 and molecular weight 384.27 g/mol. IUPAC: (7S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-7-propan-2-ylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione.
Chemical Property Profile of 7-Propyl spirolactone
Property Insights of 7-Propyl spirolactone
The XLogP value of 4.0 indicates that 7-Propyl spirolactone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 7-Propyl spirolactone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Propyl spirolactone has 0 hydrogen bond donor(s) and 3 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 7-Propyl spirolactone?
The CAS number of 7-Propyl spirolactone is 76676-33-0.
What is the molecular formula of 7-Propyl spirolactone?
The molecular formula of 7-Propyl spirolactone is C25H36O3.
What is the molecular weight of 7-Propyl spirolactone?
The molecular weight of 7-Propyl spirolactone is 384.27 g/mol.
Where can I buy 7-Propyl spirolactone?
You can request a quote for 7-Propyl spirolactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Propyl spirolactone?
Yes, KEHONG BIO provides custom synthesis services for 7-Propyl spirolactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.