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CAS 96553-02-5 gypsogenin-3-O-glucuronide molecular structure lightbox
CAS RN: 96553-02-5

gypsogenin-3-O-glucuronide

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8 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250708 100mg Out of stock Inquiry
Batchno.20260414 10mg Out of stock Inquiry
Batchno.20250828 1mg Out of stock Inquiry
Batchno.20251213 25mg Out of stock Inquiry
Batchno.20251124 50mg Out of stock Inquiry
Batchno.20251014 5mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250228 100mg Out of stock 5-7 business days Inquiry
Batchno.20251108 20mg In stock Shanghai Inquiry
  • Product code: starshine_CAS96553-02-5
  • Purity/Analytical Methods: >99.0%
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96553-02-5 / 9-formyl-2,2,6a,6b,9,12a-hexamethyl-10-(3,4,5-trihydroxy-6-methoxycarbonyloxan-2-yl)oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Standard CAS: 96553-02-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
96553-02-5
Multi CAS
Yes
Molecular Formula
C37H56O10
Molecular Weight
660.800000
Exact Mass
660.387348
InChI
InChI=1S/C37H56O10/c1-32(2)14-16-37(31(43)44)17-15-35(5)20(21(37)18-32)8-9-23-33(3)12-11-24(34(4,19-38)22(33)10-13-36(23,35)6)46-30-27(41)25(39)26(40)28(47-30)29(42)45-7/h8,19,21-28,30,39-41H,9-18H2,1-7H3,(H,43,44)/t21-,22+,23+,24-,25-,26-,27+,28-,30+,33-,34-,35+,36+,37-/m0/s1
InChIKey
LHZZULHOQSQSJN-UPGAAKEKSA-N

Computed Properties

Structural Parameters

Heavy atom count
47
Fraction Csp3
0.86
Rotatable bonds
5
H-bond acceptors
9
H-bond donors
4
Molar refractivity
170.64
TPSA
159.82

LogP / Solubility

WLOGP
4.42
MLOGP
3.94
XLogP3
5.1
Consensus LogP
4.49
Log S (ESOL)
-6.39
Class (ESOL)
Insoluble
Log S (Ali)
-8.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.22
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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