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CAS 60188-95-6 Methyl 15-hydroxy-7-oxoabieta-9(11),8(14),12-trien-18-oate molecular structure lightbox
CAS RN: 60188-95-6

Methyl 15-hydroxy-7-oxoabieta-9(11),8(14),12-trien-18-oate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250312 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS60188-95-6
  • Purity/Analytical Methods: >99.0%
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60188-95-6 / methyl 7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate

Standard CAS: 60188-95-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
60188-95-6
Multi CAS
Yes
Molecular Formula
C21H28O4
Molecular Weight
344.400000
Exact Mass
344.198759
InChI
InChI=1S/C21H28O4/c1-19(2,24)13-7-8-15-14(11-13)16(22)12-17-20(15,3)9-6-10-21(17,4)18(23)25-5/h7-8,11,17,24H,6,9-10,12H2,1-5H3/t17-,20-,21-/m1/s1
InChIKey
VGWVMAMFNRSDED-DUXKGJEZSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
95.45
TPSA
63.6

LogP / Solubility

WLOGP
3.74
MLOGP
3.31
XLogP3
3.4
Consensus LogP
3.48
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.24
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)
-2.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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