CAS RN: 1343402-73-2

3α-Hydroxymogrol

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250129 1mg Out of stock Inquiry
  • Product code: starshine_CAS1343402-73-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1343402-73-2 / (3R,8S,9R,10R,11R,13R,14S,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-diol

Standard CAS: 1343402-73-2 Multi CAS: No

Basic Information

CAS
1343402-73-2
Multi CAS
No
Molecular Formula
C30H52O4
Molecular Weight
476.700000
Exact Mass
476.386560
SMILES
C[C@H](CC[C@H](C(C)(C)O)O)[C@H]1CC[C@@]2([C@@]1(C[C@H]([C@@]3([C@H]2CC=C4[C@H]3CC[C@H](C4(C)C)O)C)O)C)C
InChI
InChI=1S/C30H52O4/c1-18(9-13-24(32)27(4,5)34)19-15-16-28(6)22-12-10-20-21(11-14-23(31)26(20,2)3)30(22,8)25(33)17-29(19,28)7/h10,18-19,21-25,31-34H,9,11-17H2,1-8H3/t18-,19-,21-,22+,23-,24-,25-,28+,29-,30+/m1/s1
InChIKey
JLYBBRAAICDTIS-HYBNOKSXSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Fraction Csp3
0.93
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
4
Molar refractivity
137.07
TPSA
80.92

LogP / Solubility

WLOGP
5.47
MLOGP
4.85
XLogP3
5.4
Consensus LogP
5.24
Log S (ESOL)
-5.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.9
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-1.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8

Get In Touch

Contact Us