[email protected]
CAS 21887-01-4 horminone molecular structure lightbox
CAS RN: 21887-01-4

horminone

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251104 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS21887-01-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

21887-01-4 / (4bS,8aS,10R)-1,10-dihydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3,4-dione

Standard CAS: 21887-01-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21887-01-4
Multi CAS
No
Molecular Formula
C20H28O4
Molecular Weight
332.400000
Exact Mass
332.198759
SMILES
CC(C)C1=C(C2=C(C(=O)C1=O)[C@]3(CCCC([C@@H]3C[C@H]2O)(C)C)C)O
InChI
InChI=1S/C20H28O4/c1-10(2)13-16(22)14-11(21)9-12-19(3,4)7-6-8-20(12,5)15(14)18(24)17(13)23/h10-12,21-22H,6-9H2,1-5H3/t11-,12+,20+/m1/s1
InChIKey
WAZYPYJGZYLHHT-JGRMJRGVSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.7
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
91.39
TPSA
74.6

LogP / Solubility

WLOGP
3.5
MLOGP
3.1
XLogP3
3.1
Consensus LogP
3.23
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.85
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Customers Also Viewed

Get In Touch

Contact Us