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CAS 19891-51-1 (1S)-1,2,3,3a,5aβ,6,10b,10cβ-Octahydro-1,2α,6α-trihydroxy-3aβ,10bα-dimethyl-7-isopropyl-4H,9H-furo[2′,3′,4′:4,5]naphtho[2,1-c]pyran-4,9-dione molecular structure lightbox
CAS RN: 19891-51-1

(1S)-1,2,3,3a,5aβ,6,10b,10cβ-Octahydro-1,2α,6α-trihydroxy-3aβ,10bα-dimethyl-7-isopropyl-4H,9H-furo[2′,3′,4′:4,5]naphtho[2,1-c]pyran-4,9-dione

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260104 1mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS19891-51-1
  • Purity/Analytical Methods: >99.0%
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19891-51-1 / (1S,8R,9S,12S,14R,15S,16R)-8,14,15-trihydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione

Standard CAS: 19891-51-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19891-51-1
Multi CAS
No
Molecular Formula
C19H24O7
Molecular Weight
364.400000
Exact Mass
364.152203
SMILES
CC(C)C1=C2[C@H]([C@@H]3[C@H]4[C@](C[C@H]([C@H]([C@@]4(C2=CC(=O)O1)C)O)O)(C(=O)O3)C)O
InChI
InChI=1S/C19H24O7/c1-7(2)13-11-8(5-10(21)25-13)19(4)15-14(12(11)22)26-17(24)18(15,3)6-9(20)16(19)23/h5,7,9,12,14-16,20,22-23H,6H2,1-4H3/t9-,12-,14-,15+,16-,18+,19-/m1/s1
InChIKey
AEGWYWSJGKOLGB-ZLNDBNLZSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.68
Rotatable bonds
1
H-bond acceptors
7
H-bond donors
3
Molar refractivity
89.49
TPSA
117.2

LogP / Solubility

WLOGP
0.74
MLOGP
0.67
XLogP3
-0.2
Consensus LogP
0.4
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.76
Class (SILICOS-IT)
Moderately soluble

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
No
Log Kp (skin permeation)
-4.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5

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