Lithooxazoline
TL;DR: Lithooxazoline (CAS 80724-92-1) is a chemical compound with molecular formula C28H47NO2 and molecular weight 429.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,5R,8R,9S,10S,13R,14S,17R)-17-[(2R)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: Lithooxazoline, (3R,5R,8R,9S,10S,13R,14S,17R)-17-[(2R)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol, 24-Norcholan-3-ol, 23-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-, (3alpha,5beta)-, (3R,5R,8R,9S,10S,13R,14S,17R)-17-((R)-4-(4,4-Dimethyl-4,5-dihydrooxazol-2-yl)butan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-ol, RefChem:153792
| Molecular Formula | C28H47NO2 |
|---|---|
| Molecular Weight | 429.36 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 41.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.3607 |
| Heavy Atoms | 31 |
| Complexity | 716.0 |
Chemical Identifiers
| CAS Number | 80724-92-1 |
|---|---|
| SMILES | C[C@H](CCC1=NC(CO1)(C)C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@H](C5)O)C)C |
| InChIKey | IWBRPFCTPVMWIJ-CUYCEIPOSA-N |
Product Overview
Lithooxazoline (CAS 80724-92-1), with molecular formula C28H47NO2 and molecular weight 429.36 g/mol. IUPAC: (3R,5R,8R,9S,10S,13R,14S,17R)-17-[(2R)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of Lithooxazoline
Property Insights of Lithooxazoline
The XLogP value of 6.9 indicates that Lithooxazoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.8 Ų, Lithooxazoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Lithooxazoline has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Lithooxazoline?
The CAS number of Lithooxazoline is 80724-92-1.
What is the molecular formula of Lithooxazoline?
The molecular formula of Lithooxazoline is C28H47NO2.
What is the molecular weight of Lithooxazoline?
The molecular weight of Lithooxazoline is 429.36 g/mol.
Where can I buy Lithooxazoline?
You can request a quote for Lithooxazoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lithooxazoline?
Yes, KEHONG BIO provides custom synthesis services for Lithooxazoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.