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CAS 71835-85-3 Caffeic Acid 3-Methyl Phenethyl Ester, Analytical reference molecular structure lightbox
CAS RN: 71835-85-3

Caffeic Acid 3-Methyl Phenethyl Ester, Analytical reference

Product Availability

Choose a grade to view its available package options.

8 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250402 100mg In stock Shanghai Inquiry
Batchno.20260622 10mg In stock Shanghai Inquiry
Batchno.20250821 1mg In stock Shanghai Inquiry
Batchno.20260618 250mg Out of stock Inquiry
Batchno.20250521 25mg In stock Shanghai Inquiry
Batchno.20260413 50mg In stock Shanghai Inquiry
Batchno.20260425 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250820 5mg / 20mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-181386
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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: 0.1g
  • 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 71835-85-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

71835-85-3 / 2-phenylethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Standard CAS: 71835-85-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71835-85-3
Multi CAS
Yes
Molecular Formula
C18H18O4
Molecular Weight
298.300000
Exact Mass
298.120509
InChI
InChI=1S/C18H18O4/c1-21-17-13-15(7-9-16(17)19)8-10-18(20)22-12-11-14-5-3-2-4-6-14/h2-10,13,19H,11-12H2,1H3/b10-8+
InChIKey
CZQNYPBIOHVQQN-CSKARUKUSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
84.8
TPSA
55.76

LogP / Solubility

WLOGP
3.2
MLOGP
2.83
XLogP3
3.8
Consensus LogP
3.28
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.98
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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