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CAS 1080-07-5 3-BROMO-4-METHOXYCINNAMIC ACID molecular structure lightbox
CAS RN: 1080-07-5

3-BROMO-4-METHOXYCINNAMIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260107 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-009309
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1080-07-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1080-07-5 / 3-(3-bromo-4-methoxyphenyl)prop-2-enoic acid

3-(3-Bromo-4-methoxyphenyl)-2-propenoic acid | RefChem:274094 | 3-BROMO-4-METHOXYCINNAMIC ACID

Standard CAS: 1080-07-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1080-07-5
Multi CAS
Yes
Molecular Formula
C10H9BrO3
Molecular Weight
257.080000
Exact Mass
255.973510
SMILES
COC1=C(C=C(C=C1)C=CC(=O)O)Br
InChI
InChI=1S/C10H9BrO3/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6H,1H3,(H,12,13)
InChIKey
VTHCKJFXUYPZAO-UHFFFAOYSA-N
Synonyms
3-(3-Bromo-4-methoxyphenyl)-2-propenoic acid RefChem:274094 3-BROMO-4-METHOXYCINNAMIC ACID 3-(3-bromo-4-methoxy-phenyl)prop-2-enoic acid 3-(3-bromo-4-methoxyphenyl)prop-2-enoic acid

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.36
TPSA
46.53

LogP / Solubility

WLOGP
2.56
MLOGP
2.26
XLogP3
2.6
Consensus LogP
2.47
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
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)
-2.47

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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