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CAS 97744-96-2 Pseudoginsenoside Rh1 molecular structure lightbox
CAS RN: 97744-96-2

Pseudoginsenoside Rh1

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250918 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS97744-96-2
  • Purity/Analytical Methods: >99.0%
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97744-96-2 / (2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(E)-6-hydroxy-6-methylhept-2-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Standard CAS: 97744-96-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
97744-96-2
Multi CAS
Yes
Molecular Formula
C36H62O9
Molecular Weight
638.900000
Exact Mass
638.439384
InChI
InChI=1S/C36H62O9/c1-19(10-9-13-32(2,3)43)20-11-15-35(7)26(20)21(38)16-24-34(6)14-12-25(39)33(4,5)30(34)22(17-36(24,35)8)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/b19-10+/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,34-,35-,36-/m1/s1
InChIKey
SLPPUMWTJMNBCW-SZHHNJADSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Fraction Csp3
0.94
Rotatable bonds
7
H-bond acceptors
9
H-bond donors
7
Molar refractivity
169.71
TPSA
160.07

LogP / Solubility

WLOGP
3.3
MLOGP
2.95
XLogP3
4.2
Consensus LogP
3.48
Log S (ESOL)
-5.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.39
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)
-4.28

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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