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CAS 17504-13-1 methyl 4-hydroxy-1,1-biphenyl-3-carboxylate molecular structure lightbox
CAS RN: 17504-13-1

methyl 4-hydroxy-1,1-biphenyl-3-carboxylate

  • Product code: SSC-076760
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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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 17504-13-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Shenzhen Inquiry
0.25g >97% 2 In Stock Shenzhen Inquiry
1g >97% 2 In Stock Beijing Inquiry
5g >97% 2 In Stock Hong Kong Inquiry

17504-13-1 / methyl 2-hydroxy-5-phenylbenzoate

Standard CAS: 17504-13-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17504-13-1
Multi CAS
No
Molecular Formula
C14H12O3
Molecular Weight
228.240000
Exact Mass
228.078644
SMILES
COC(=O)C1=C(C=CC(=C1)C2=CC=CC=C2)O
InChI
InChI=1S/C14H12O3/c1-17-14(16)12-9-11(7-8-13(12)15)10-5-3-2-4-6-10/h2-9,15H,1H3
InChIKey
ANCWLMBYNOSXQA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.88
TPSA
46.53

LogP / Solubility

WLOGP
2.85
MLOGP
2.51
XLogP3
4
Consensus LogP
3.12
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
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)
-2.09

Drug-likeness / Medicinal Chemistry

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

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