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CAS 18797-80-3 ACETYLCORYNOLINE(P) molecular structure lightbox
CAS RN: 18797-80-3

ACETYLCORYNOLINE(P)

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260418 5mg / 20mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260515 100mg Out of stock Inquiry
Batchno.20260604 25mg In stock Shanghai Inquiry
Batchno.20260620 50mg In stock Shenzhen Inquiry
  • Product code: starshine_CAS18797-80-3
  • Purity/Analytical Methods: >99.0%
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18797-80-3 / [(1R,12S,13R)-13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-yl] acetate

Standard CAS: 18797-80-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18797-80-3
Multi CAS
No
Molecular Formula
C23H23NO6
Molecular Weight
409.400000
Exact Mass
409.152537
SMILES
CC(=O)O[C@H]1CC2=CC3=C(C=C2[C@@H]4[C@]1(C5=C(CN4C)C6=C(C=C5)OCO6)C)OCO3
InChI
InChI=1S/C23H23NO6/c1-12(25)30-20-7-13-6-18-19(28-10-27-18)8-14(13)22-23(20,2)16-4-5-17-21(29-11-26-17)15(16)9-24(22)3/h4-6,8,20,22H,7,9-11H2,1-3H3/t20-,22+,23-/m0/s1
InChIKey
PUHCFWFODBLSAP-WWNPGLIZSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
7
Molar refractivity
105.95
TPSA
66.46

LogP / Solubility

WLOGP
3.08
MLOGP
2.73
XLogP3
3.3
Consensus LogP
3.04
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.99
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral] H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement Codes
P260, P264, P270, P271, P284, P301+P316, P304+P340, P316, P320, P321, P330, P403+P233, P405, and P501

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