Photobarbatusin I
TL;DR: Photobarbatusin I (CAS 62288-03-3) is a chemical compound with molecular formula C24H30O8 and molecular weight 446.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,2'R,3'S,7'R,8'S,9'S,13'R,14'R)-13'-acetyloxy-9',14'-dihydroxy-2,2',6',6'-tetramethyl-5',11'-dioxospiro[cyclopropane-1,12'-tetracyclo[8.4.0.02,7.03,14]tetradec-1(10)-ene]-8'-yl] acetate
Also Known As: PHOTOBARBATUSIN I, Dehydrocyclobutatusin, NCI60_002217, ((1S,2S,2'R,3'S,7'R,8'S,9'S,13'R,14'R)-13'-acetyloxy-9',14'-dihydroxy-2,2',6',6'-tetramethyl-5',11'-dioxospiro(cyclopropane-1,12'-tetracyclo(8.4.0.02,7.03,14)tetradec-1(10)-ene)-8'-yl) acetate, (15S)-7,11-Dihydroxy-3,14-dioxo-1beta,6beta,7alpha,11beta,12alpha-1,11:15,17-dicyclopimar-8-ene-6,12-diyl diacetate
| Molecular Formula | C24H30O8 |
|---|---|
| Molecular Weight | 446.19 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.19406 |
| Heavy Atoms | 32 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 62288-03-3 |
|---|---|
| SMILES | C[C@H]1C[C@@]12[C@H]([C@]3([C@H]4CC(=O)C([C@H]5[C@]4(C3=C(C2=O)[C@@H]([C@H]5OC(=O)C)O)C)(C)C)O)OC(=O)C |
| InChIKey | KJZXTHWPZAGWHW-SZVYZWPRSA-N |
Product Overview
Photobarbatusin I (CAS 62288-03-3), with molecular formula C24H30O8 and molecular weight 446.19 g/mol. IUPAC: [(1S,2S,2'R,3'S,7'R,8'S,9'S,13'R,14'R)-13'-acetyloxy-9',14'-dihydroxy-2,2',6',6'-tetramethyl-5',11'-dioxospiro[cyclopropane-1,12'-tetracyclo[8.4.0.02,7.03,14]tetradec-1(10)-ene]-8'-yl] acetate.
Chemical Property Profile of Photobarbatusin I
Property Insights of Photobarbatusin I
The XLogP value of -0.3 indicates that Photobarbatusin I is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Photobarbatusin I. Following Lipinski's Rule of Five, Photobarbatusin I has 2 hydrogen bond donor(s) and 8 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 Photobarbatusin I?
The CAS number of Photobarbatusin I is 62288-03-3.
What is the molecular formula of Photobarbatusin I?
The molecular formula of Photobarbatusin I is C24H30O8.
What is the molecular weight of Photobarbatusin I?
The molecular weight of Photobarbatusin I is 446.19 g/mol.
Where can I buy Photobarbatusin I?
You can request a quote for Photobarbatusin I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Photobarbatusin I?
Yes, KEHONG BIO provides custom synthesis services for Photobarbatusin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.