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CAS 294856-66-9 cypellocarpin C molecular structure lightbox
CAS RN: 294856-66-9

cypellocarpin C

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250723 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS294856-66-9
  • Purity/Analytical Methods: >99.0%
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294856-66-9 / [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-2-methyl-4-oxochromen-7-yl)oxyoxan-2-yl]methyl (4R)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate

Standard CAS: 294856-66-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
294856-66-9
Multi CAS
Yes
Molecular Formula
C26H32O11
Molecular Weight
520.500000
Exact Mass
520.194462
InChI
InChI=1S/C26H32O11/c1-12-8-16(27)20-17(28)9-15(10-18(20)35-12)36-25-23(31)22(30)21(29)19(37-25)11-34-24(32)13-4-6-14(7-5-13)26(2,3)33/h4,8-10,14,19,21-23,25,28-31,33H,5-7,11H2,1-3H3/t14-,19+,21+,22-,23+,25+/m0/s1
InChIKey
OUBDJJFZUQGQLU-ZHFYLPRNSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
10
Fraction Csp3
0.54
Rotatable bonds
6
H-bond acceptors
11
H-bond donors
5
Molar refractivity
128.88
TPSA
176.12

LogP / Solubility

WLOGP
1.03
MLOGP
0.95
XLogP3
1.4
Consensus LogP
1.13
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.62
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
No
Log Kp (skin permeation)
-5.16

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7.5

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