[email protected]
CAS 184288-35-5 Picfeltarraenin IV molecular structure lightbox
CAS RN: 184288-35-5

Picfeltarraenin IV

Product Availability

Choose a grade to view its available package options.

4 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250325 1mg / 5mg Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251011 10mg Out of stock Inquiry
Batchno.20250518 1mg Out of stock Inquiry
Batchno.20260613 5mg Out of stock Inquiry
  • Product code: starshine_CAS184288-35-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

184288-35-5 / (2S)-2-[(3R,8S,9R,10R,13R,14S,16R,17R)-3-[(2S,3R,4S,5R)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-16-hydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-5-propan-2-ylfuran-3-one

Standard CAS: 184288-35-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
184288-35-5
Multi CAS
No
Molecular Formula
C47H72O18
Molecular Weight
925.100000
Exact Mass
924.471865
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3[C@@H](CO[C@H]([C@@H]3O)O[C@@H]4CC[C@@H]5C(=CC[C@@H]6[C@]5(C(=O)C[C@]7([C@]6(C[C@H]([C@@H]7[C@]8(C(=O)C=C(O8)C(C)C)C)O)C)C)C)C4(C)C)O)CO)O)O)O)O)O
InChI
InChI=1S/C47H72O18/c1-19(2)25-14-28(51)47(9,65-25)39-23(49)15-44(6)27-12-10-21-22(46(27,8)29(52)16-45(39,44)7)11-13-30(43(21,4)5)62-40-36(58)37(24(50)18-59-40)63-42-38(34(56)32(54)26(17-48)61-42)64-41-35(57)33(55)31(53)20(3)60-41/h10,14,19-20,22-24,26-27,30-42,48-50,53-58H,11-13,15-18H2,1-9H3/t20-,22+,23+,24+,26+,27-,30+,31-,32+,33+,34-,35+,36+,37-,38+,39-,40-,41-,42-,44-,45+,46-,47+/m0/s1
InChIKey
AJDSYFQMQGZVPS-TWNGIMQYSA-N

Computed Properties

Structural Parameters

Heavy atom count
65
Fraction Csp3
0.87
Rotatable bonds
9
H-bond acceptors
18
H-bond donors
9
Molar refractivity
224.66
TPSA
280.82

LogP / Solubility

WLOGP
0.14
MLOGP
0.21
XLogP3
-0.1
Consensus LogP
0.08
Log S (ESOL)
-5.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.87
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.26

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

Customers Also Viewed

Get In Touch

Contact Us