[email protected]
CAS 88664-09-9 14-Deoxycoleon U molecular structure lightbox
CAS RN: 88664-09-9

14-Deoxycoleon U

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260512 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS88664-09-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

88664-09-9 / (4aS)-5,6-dihydroxy-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-9,10-dione

Standard CAS: 88664-09-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
88664-09-9
Multi CAS
Yes
Molecular Formula
C20H26O4
Molecular Weight
330.400000
Exact Mass
330.183109
InChI
InChI=1S/C20H26O4/c1-10(2)11-9-12-13(16(23)14(11)21)20(5)8-6-7-19(3,4)18(20)17(24)15(12)22/h9-10,21,23-24H,6-8H2,1-5H3/t20-/m1/s1
InChIKey
QDFALZMZLBCVCD-HXUWFJFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
91.67
TPSA
74.6

LogP / Solubility

WLOGP
4.07
MLOGP
3.6
XLogP3
4.6
Consensus LogP
4.09
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.31
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.85

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
3.5

Customers Also Viewed

Get In Touch

Contact Us