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CAS 29700-20-7 perlolyrine molecular structure lightbox
CAS RN: 29700-20-7

perlolyrine

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250409 100mg In stock Shanghai Inquiry
Batchno.20250906 10mg In stock Shanghai Inquiry
Batchno.20250807 250mg In stock Shanghai Inquiry
Batchno.20250923 25mg In stock Shanghai Inquiry
Batchno.20250408 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS29700-20-7
  • Purity/Analytical Methods: >99.0%
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29700-20-7 / [5-(9H-pyrido[3,4-b]indol-1-yl)furan-2-yl]methanol

Standard CAS: 29700-20-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
29700-20-7
Multi CAS
Yes
Molecular Formula
C16H12N2O2
Molecular Weight
264.280000
Exact Mass
264.089878
InChI
InChI=1S/C16H12N2O2/c19-9-10-5-6-14(20-10)16-15-12(7-8-17-16)11-3-1-2-4-13(11)18-15/h1-8,18-19H,9H2
InChIKey
KFUCYPGCMLPUMT-UHFFFAOYSA-N

Physical Properties

Melting Point
183 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
18
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
77.22
TPSA
62.05

LogP / Solubility

WLOGP
3.47
MLOGP
3.06
XLogP3
2.2
Consensus LogP
2.91
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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