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CAS 3486-66-6 COPTISINE molecular structure lightbox
CAS RN: 3486-66-6

COPTISINE

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260301 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20251221 100mg In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20260208 10mg In stock Shanghai Inquiry
Batchno.20251231 250mg In stock Shanghai Inquiry
Batchno.20260329 25mg In stock Shanghai Inquiry
Batchno.20250426 50mg In stock Shanghai, Wuhan Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250930 20mg In stock Shanghai, Shandong, Guangdong, Chongqing Inquiry
  • Product code: starshine_CAS3486-66-6
  • Purity/Analytical Methods: >99.0%
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3486-66-6 / 5,7,17,19-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(13),2,4(8),9,14,16(20),21,23-octaene

Standard CAS: 3486-66-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3486-66-6
Multi CAS
Yes
Molecular Formula
C19H14NO4
Molecular Weight
320.300000
Exact Mass
320.092283
InChI
InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1
InChIKey
XYHOBCMEDLZUMP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.21
H-bond acceptors
4
Molar refractivity
85.53
TPSA
40.8

LogP / Solubility

WLOGP
2.81
MLOGP
2.49
XLogP3
3.5
Consensus LogP
2.93
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.07
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4

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