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CAS 10263-19-1 3′,4′,5′-trimethoxycinnamoyl chloride molecular structure lightbox
CAS RN: 10263-19-1

3′,4′,5′-trimethoxycinnamoyl chloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260515 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS10263-19-1
  • Purity/Analytical Methods: >99.0%
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10263-19-1 / (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl chloride

3-(3,4,5-trimethoxyphenyl)prop-2-enoyl chloride | 2-Propenoyl chloride, 3-(3,4,5-trimethoxyphenyl)- | SCHEMBL8637989

Standard CAS: 10263-19-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
10263-19-1
Multi CAS
Yes
Molecular Formula
C12H13ClO4
Molecular Weight
256.680000
Exact Mass
256.050237
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)Cl
InChI
InChI=1S/C12H13ClO4/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3/b5-4+
InChIKey
NFFPFTGFVSWSTH-SNAWJCMRSA-N
Synonyms
3-(3,4,5-trimethoxyphenyl)prop-2-enoyl chloride 2-Propenoyl chloride, 3-(3,4,5-trimethoxyphenyl)- SCHEMBL8637989 NFFPFTGFVSWSTH-UHFFFAOYSA-N DTXSID801285621

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
65.99
TPSA
44.76

LogP / Solubility

WLOGP
2.49
MLOGP
2.2
XLogP3
2.4
Consensus LogP
2.36
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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