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CAS 63644-62-2 coniferyl ferulate molecular structure lightbox
CAS RN: 63644-62-2

coniferyl ferulate

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250317 10mg In stock Shanghai Inquiry
Batchno.20250120 1mg In stock Shanghai Inquiry
Batchno.20260419 25mg In stock Shanghai Inquiry
Batchno.20251222 50mg Out of stock Inquiry
Batchno.20250613 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS63644-62-2
  • Purity/Analytical Methods: >99.0%
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63644-62-2 / 3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Standard CAS: 63644-62-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
63644-62-2
Multi CAS
Yes
Molecular Formula
C20H20O6
Molecular Weight
356.400000
Exact Mass
356.125988
InChI
InChI=1S/C20H20O6/c1-24-18-12-14(5-8-16(18)21)4-3-11-26-20(23)10-7-15-6-9-17(22)19(13-15)25-2/h3-10,12-13,21-22H,11H2,1-2H3/b4-3+,10-7+
InChIKey
PGLIMMMHQDNVRS-YZQQHVNFSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.15
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
98.34
TPSA
85.22

LogP / Solubility

WLOGP
3.38
MLOGP
3
XLogP3
3.6
Consensus LogP
3.33
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.63
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
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
No
Synthetic Accessibility
2.5

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