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CAS 531-29-3 coniferin molecular structure lightbox
CAS RN: 531-29-3

coniferin

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260410 100mg Out of stock Inquiry
Batchno.20250818 10mg Out of stock Inquiry
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Batchno.20250926 50mg Out of stock Inquiry
  • Product code: starshine_CAS531-29-3
  • Purity/Analytical Methods: >99.0%
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531-29-3 / (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(3-hydroxyprop-1-enyl)-2-methoxyphenoxy]oxane-3,4,5-triol

Standard CAS: 531-29-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
531-29-3
Multi CAS
Yes
Molecular Formula
C16H22O8
Molecular Weight
342.340000
Exact Mass
342.131468
InChI
InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/t12-,13-,14+,15-,16-/m1/s1
InChIKey
SFLMUHDGSQZDOW-IBEHDNSVSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
5
Molar refractivity
83.51
TPSA
128.84

LogP / Solubility

WLOGP
-1.12
MLOGP
-0.97
XLogP3
-1.3
Consensus LogP
-1.13
Log S (ESOL)
-1.05
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5

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