[email protected]
CAS 168293-13-8 3-O-Acetyl-16alpha-hydroxytrametenolic acid molecular structure lightbox
CAS RN: 168293-13-8

3-O-Acetyl-16alpha-hydroxytrametenolic acid

Product Availability

Choose a grade to view its available package options.

5 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250309 1mg / 5mg Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250905 10mg Out of stock Inquiry
Batchno.20250504 1mg Out of stock Inquiry
Batchno.20250430 2mg Out of stock Inquiry
Batchno.20250124 5mg Out of stock Inquiry
  • Product code: starshine_CAS168293-13-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

168293-13-8 / (2R)-2-[(3S,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid

Standard CAS: 168293-13-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
168293-13-8
Multi CAS
No
Molecular Formula
C32H50O5
Molecular Weight
514.700000
Exact Mass
514.365825
SMILES
CC(=CCC[C@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C)C)C)C)O)C(=O)O)C
InChI
InChI=1S/C32H50O5/c1-19(2)10-9-11-21(28(35)36)27-24(34)18-32(8)23-12-13-25-29(4,5)26(37-20(3)33)15-16-30(25,6)22(23)14-17-31(27,32)7/h10,21,24-27,34H,9,11-18H2,1-8H3,(H,35,36)/t21-,24-,25?,26+,27+,30-,31-,32+/m1/s1
InChIKey
SRDNLMOBFKJOSD-COLBUHOESA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Fraction Csp3
0.81
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
145.78
TPSA
83.83

LogP / Solubility

WLOGP
7.09
MLOGP
6.27
XLogP3
6.7
Consensus LogP
6.69
Log S (ESOL)
-7.1
Class (ESOL)
Insoluble
Log S (Ali)
-8.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.61
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.83

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5

Customers Also Viewed

Get In Touch

Contact Us