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CAS 1266249-44-8 Methyl 3-(3-chloro-4-hydroxyphenyl)acrylate molecular structure lightbox
CAS RN: 1266249-44-8

Methyl 3-(3-chloro-4-hydroxyphenyl)acrylate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250910 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1266249-44-8
  • Purity/Analytical Methods: >99.0%
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1266249-44-8 / methyl (E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enoate

Standard CAS: 1266249-44-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1266249-44-8
Multi CAS
No
Molecular Formula
C10H9ClO3
Molecular Weight
212.630000
Exact Mass
212.024022
SMILES
COC(=O)/C=C/C1=CC(=C(C=C1)O)Cl
InChI
InChI=1S/C10H9ClO3/c1-14-10(13)5-3-7-2-4-9(12)8(11)6-7/h2-6,12H,1H3/b5-3+
InChIKey
BZHVHNVZOHIELV-HWKANZROSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.17
TPSA
46.53

LogP / Solubility

WLOGP
2.23
MLOGP
1.97
XLogP3
2.5
Consensus LogP
2.23
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
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)
-2.43

Drug-likeness / Medicinal Chemistry

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

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