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CAS 1830306-93-8 Giffonin P molecular structure lightbox
CAS RN: 1830306-93-8

Giffonin P

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251213 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1830306-93-8
  • Purity/Analytical Methods: >99.0%
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1830306-93-8 / (8S,9S,11S,12R)-tricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,8,9,10,11,12,17-heptol

Standard CAS: 1830306-93-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1830306-93-8
Multi CAS
No
Molecular Formula
C19H22O7
Molecular Weight
362.400000
Exact Mass
362.136553
SMILES
C1[C@H]([C@@H](C([C@H]([C@H](CC2=CC(=C(C=C2)O)C3=C(C=CC1=C3)O)O)O)O)O)O
InChI
InChI=1S/C19H22O7/c20-13-3-1-9-5-11(13)12-6-10(2-4-14(12)21)8-16(23)18(25)19(26)17(24)15(22)7-9/h1-6,15-26H,7-8H2/t15-,16+,17-,18-,19?/m0/s1
InChIKey
ITCMVFGYPKRCJI-YMNIQUSHSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.37
H-bond acceptors
7
H-bond donors
7
Molar refractivity
92.65
TPSA
141.61

LogP / Solubility

WLOGP
-0.33
MLOGP
-0.27
Consensus LogP
-0.2
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.74
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
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)
-5.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
10

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