CAS RN: 3877-86-9

CUCURBITACIN D

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8 package records2 with current stock3 grade groups
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Batchno.20250321 100mg Out of stock Inquiry
Batchno.20250731 10mg Out of stock Inquiry
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Batchno.20251015 5mg / 10mg / 25mg / 100mg Confirm by inquiry Shanghai Inquiry
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Batchno.20260530 5mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS3877-86-9
  • Purity/Analytical Methods: >99.0%
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3877-86-9 / 17-(2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione

Standard CAS: 3877-86-9 Multi CAS: Yes

Basic Information

CAS
3877-86-9
Multi CAS
Yes
Molecular Formula
C30H44O7
Molecular Weight
516.700000
Exact Mass
516.308704
InChI
InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23,31-32,36-37H,10,13-15H2,1-8H3
InChIKey
SRPHMISUTWFFKJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Fraction Csp3
0.77
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
4
Molar refractivity
138.22
TPSA
132.13

LogP / Solubility

WLOGP
2.93
MLOGP
2.62
XLogP3
2.1
Consensus LogP
2.55
Log S (ESOL)
-4.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.93
Class (SILICOS-IT)
Slightly soluble

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)
-3.79

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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