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CAS 42553-65-1 Crocin (Gardenia Fruits Extract) molecular structure lightbox
CAS RN: 42553-65-1

Crocin (Gardenia Fruits Extract)

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11 package records10 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250706 100mg In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20250922 1g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250312 500mg In stock Shanghai, Shandong, Chongqing, Hebei Inquiry
Batchno.20250408 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251113 100mg In stock Shanghai Inquiry
Batchno.20260324 1g In stock Shanghai Inquiry
Batchno.20260421 250mg In stock Shanghai Inquiry
Batchno.20251028 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260302 20mg In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260222 20mg In stock Inquiry
Batchno.20260410 25g Out of stock Inquiry
  • Product code: ICTC1527
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42553-65-1 / bis[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate

Standard CAS: 42553-65-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
42553-65-1
Multi CAS
Yes
Molecular Formula
C44H64O24
Molecular Weight
977.000000
Exact Mass
976.378753
InChI
InChI=1S/C44H64O24/c1-19(11-7-13-21(3)39(59)67-43-37(57)33(53)29(49)25(65-43)17-61-41-35(55)31(51)27(47)23(15-45)63-41)9-5-6-10-20(2)12-8-14-22(4)40(60)68-44-38(58)34(54)30(50)26(66-44)18-62-42-36(56)32(52)28(48)24(16-46)64-42/h5-14,23-38,41-58H,15-18H2,1-4H3
InChIKey
SEBIKDIMAPSUBY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
68
Fraction Csp3
0.64
Rotatable bonds
18
H-bond acceptors
24
H-bond donors
14
Molar refractivity
227.43
TPSA
391.2

LogP / Solubility

WLOGP
-5.23
MLOGP
-4.5
XLogP3
-2.5
Consensus LogP
-4.08
Log S (ESOL)
-1.42
Class (ESOL)
Soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
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)
-12.39

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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