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CAS 15662-33-6 Ryanodine molecular structure lightbox
CAS RN: 15662-33-6

Ryanodine

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250501 1mg In stock Shandong Inquiry
  • Product code: starshine_CAS15662-33-6
  • Purity/Analytical Methods: >99.0%
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15662-33-6 / [(1R,2R,3S,6S,7S,9S,10R,11S,12R,13S,14R)-2,6,9,11,13,14-hexahydroxy-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate

Standard CAS: 15662-33-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15662-33-6
Multi CAS
No
Molecular Formula
C25H35NO9
Molecular Weight
493.500000
Exact Mass
493.231182
SMILES
C[C@H]1CC[C@@]2([C@@]3(C[C@]4([C@@]5([C@]([C@H]([C@@]3([C@]5([C@]2([C@@H]1O)O4)O)O)OC(=O)C6=CC=CN6)(C(C)C)O)C)O)C)O
InChI
InChI=1S/C25H35NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-7,10,12-13,15,17,26-27,29-33H,8-9,11H2,1-5H3/t13-,15+,17+,18-,19+,20-,21-,22+,23+,24+,25+/m0/s1
InChIKey
JJSYXNQGLHBRRK-SFEDZAPPSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
5
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
9
H-bond donors
7
Molar refractivity
118.64
TPSA
172.7

LogP / Solubility

WLOGP
-0.19
MLOGP
-0.13
XLogP3
-0.5
Consensus LogP
-0.27
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.07
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)
-5.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
10

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302: Harmful if swallowed [Warning Acute toxicity, oral] H312: Harmful in contact with skin [Warning Acute toxicity, dermal] H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] H302+H312 (97.5%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]
Precautionary Statement Codes
P264, P270, P273, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, P391, and P501

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