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CAS 68124-04-9 Chonglou Saponin VII molecular structure lightbox
CAS RN: 68124-04-9

Chonglou Saponin VII

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7 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260621 100mg In stock Inquiry
Batchno.20250226 1mg In stock Inquiry
Batchno.20250901 25mg In stock Inquiry
Batchno.20251004 5mg In stock Inquiry
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Batchno.20260322 100mg Out of stock Inquiry
Batchno.20250726 25mg In stock Shanghai Inquiry
Batchno.20251028 50mg Out of stock Inquiry
  • Product code: starshine_CAS68124-04-9
  • Purity/Analytical Methods: >99.0%
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68124-04-9 / (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-8-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Standard CAS: 68124-04-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
68124-04-9
Multi CAS
Yes
Molecular Formula
C51H82O21
Molecular Weight
1031.200000
Exact Mass
1030.534860
InChI
InChI=1S/C51H82O21/c1-20-10-15-50(63-19-20)24(5)51(62)31(72-50)17-29-27-9-8-25-16-26(11-13-48(25,6)28(27)12-14-49(29,51)7)67-47-43(71-45-38(59)35(56)33(54)22(3)65-45)40(61)42(30(18-52)68-47)70-46-39(60)36(57)41(23(4)66-46)69-44-37(58)34(55)32(53)21(2)64-44/h8,20-24,26-47,52-62H,9-19H2,1-7H3/t20-,21+,22+,23+,24-,26+,27-,28+,29+,30-,31+,32+,33+,34-,35-,36+,37-,38-,39-,40+,41+,42-,43-,44+,45+,46+,47-,48+,49+,50-,51-/m1/s1
InChIKey
FBFJAXUYHGSVFN-IYUYFXHASA-N

Computed Properties

Structural Parameters

Heavy atom count
72
Fraction Csp3
0.96
Rotatable bonds
9
H-bond acceptors
21
H-bond donors
11
Molar refractivity
245.46
TPSA
314.83

LogP / Solubility

WLOGP
-0.79
MLOGP
-0.6
XLogP3
-1
Consensus LogP
-0.8
Log S (ESOL)
-5.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.79
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
No
Log Kp (skin permeation)
-9.57

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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