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CAS 6871-67-6 Lotusine molecular structure lightbox
CAS RN: 6871-67-6

Lotusine

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6 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260430 10mg Out of stock Inquiry
Batchno.20250225 1mg Out of stock Inquiry
Batchno.20250531 25mg Out of stock Inquiry
Batchno.20250515 50mg Out of stock Inquiry
Batchno.20260625 5mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260427 20mg In stock Shanghai Inquiry
  • Product code: starshine_CAS6871-67-6
  • Purity/Analytical Methods: >99.0%
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6871-67-6 / (1R)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-6-ol

Standard CAS: 6871-67-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6871-67-6
Multi CAS
Yes
Molecular Formula
C19H24NO3
Molecular Weight
314.400000
Exact Mass
314.175619
InChI
InChI=1S/C19H23NO3/c1-20(2)9-8-14-11-18(22)19(23-3)12-16(14)17(20)10-13-4-6-15(21)7-5-13/h4-7,11-12,17H,8-10H2,1-3H3,(H-,21,22)/p+1/t17-/m1/s1
InChIKey
ZKTMLINFIQCERN-QGZVFWFLSA-O

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
89.89
TPSA
49.69

LogP / Solubility

WLOGP
3.02
MLOGP
2.67
XLogP3
3.1
Consensus LogP
2.93
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
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)
-2.49

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
3

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