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CAS 6199-67-3 Cucurbitacin B molecular structure lightbox
CAS RN: 6199-67-3

Cucurbitacin B

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250413 100mg In stock Shanghai Inquiry
Batchno.20260302 10mg In stock Shanghai Inquiry
Batchno.20250724 1g In stock Shanghai Inquiry
Batchno.20250427 250mg In stock Shanghai Inquiry
Batchno.20250906 50mg In stock Shanghai Inquiry
Batchno.20251123 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250423 5mg / 10mg / 25mg / 100mg Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
  • Product code: ICTC3442
  • Purity/Analytical Methods: >98.0%(HPLC)
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6199-67-3 / [6-(2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate

Standard CAS: 6199-67-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6199-67-3
Multi CAS
Yes
Molecular Formula
C32H46O8
Molecular Weight
558.700000
Exact Mass
558.319268
InChI
InChI=1S/C32H46O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19-22,25,34-35,39H,11,14-16H2,1-9H3/b13-12+/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1
InChIKey
IXQKXEUSCPEQRD-DKRGWESNSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Fraction Csp3
0.75
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
3
Molar refractivity
147.77
TPSA
138.2

LogP / Solubility

WLOGP
3.5
MLOGP
3.12
XLogP3
2.6
Consensus LogP
3.07
Log S (ESOL)
-5.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.8
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)
-3.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9

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