[email protected]
CAS 4181-97-9 4-METHOXY-BENZOIC ACID PHENYL ESTER molecular structure lightbox
CAS RN: 4181-97-9

4-METHOXY-BENZOIC ACID PHENYL ESTER

  • Product code: SSC-150168
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g, 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 4181-97-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 3 In Stock Shenzhen Inquiry
1g ≥95% 3 In Stock Beijing Inquiry
5g ≥95% 1 In Stock Shanghai Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

4181-97-9 / phenyl 4-methoxybenzoate

Standard CAS: 4181-97-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4181-97-9
Multi CAS
No
Molecular Formula
C14H12O3
Molecular Weight
228.240000
Exact Mass
228.078644
InChI
InChI=1S/C14H12O3/c1-16-12-9-7-11(8-10-12)14(15)17-13-5-3-2-4-6-13/h2-10H,1H3
InChIKey
BNZYBNYNPXKWCM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
64.39
TPSA
35.53

LogP / Solubility

WLOGP
2.91
MLOGP
2.57
XLogP3
3.6
Consensus LogP
3.03
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
Class (SILICOS-IT)
Poorly 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)
-2.04

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

Customers Also Viewed

Get In Touch

Contact Us