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CAS 55804-74-5 clitorin molecular structure lightbox
CAS RN: 55804-74-5

clitorin

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250205 1mg / 5mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251221 100mg In stock Shanghai Inquiry
Batchno.20260315 10mg In stock Shanghai Inquiry
Batchno.20250423 25mg In stock Shanghai Inquiry
Batchno.20250203 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS55804-74-5
  • Purity/Analytical Methods: >99.0%
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55804-74-5 / 3-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

Standard CAS: 55804-74-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
55804-74-5
Multi CAS
Yes
Molecular Formula
C33H40O19
Molecular Weight
740.700000
Exact Mass
740.216379
InChI
InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(47-10)46-9-17-21(39)25(43)30(52-32-27(45)24(42)20(38)11(2)48-32)33(50-17)51-29-22(40)18-15(36)7-14(35)8-16(18)49-28(29)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21+,23+,24+,25-,26+,27+,30+,31+,32-,33-/m0/s1
InChIKey
WRXVPTMENPZUIZ-QEZWUOJGSA-N

Physical Properties

Melting Point
202 - 204 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
52
Aromatic heavy atom count
16
Fraction Csp3
0.55
Rotatable bonds
8
H-bond acceptors
19
H-bond donors
11
Molar refractivity
169.75
TPSA
308.12

LogP / Solubility

WLOGP
-2.54
MLOGP
-2.17
XLogP3
-2
Consensus LogP
-2.24
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
Class (SILICOS-IT)
Poorly 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)
-9.04

Drug-likeness / Medicinal Chemistry

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

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