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CAS 1181452-14-1 4′-Methoxy-6-methyl-[1,1′-biphenyl]-3-carboxylic acid molecular structure lightbox
CAS RN: 1181452-14-1

4′-Methoxy-6-methyl-[1,1′-biphenyl]-3-carboxylic acid

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250901 100mg In stock Shanghai Inquiry
Batchno.20250813 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260414 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260628 5g In stock Shenzhen Inquiry
  • Product code: starshine_CAS1181452-14-1
  • Purity/Analytical Methods: >99.0%
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1181452-14-1 / 3-(4-methoxyphenyl)-4-methylbenzoic acid

4'-Methoxy-6-methyl-[1,1'-biphenyl]-3-carboxylic acid | 4'-Methoxy-6-methyl-(1,1'-biphenyl)-3-carboxylic acid | RefChem:506176

Standard CAS: 1181452-14-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1181452-14-1
Multi CAS
No
Molecular Formula
C15H14O3
Molecular Weight
242.270000
Exact Mass
242.094294
SMILES
CC1=C(C=C(C=C1)C(=O)O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C15H14O3/c1-10-3-4-12(15(16)17)9-14(10)11-5-7-13(18-2)8-6-11/h3-9H,1-2H3,(H,16,17)
InChIKey
QYRSNZGYFGYTOP-UHFFFAOYSA-N
Synonyms
4'-Methoxy-6-methyl-[1,1'-biphenyl]-3-carboxylic acid 4'-Methoxy-6-methyl-(1,1'-biphenyl)-3-carboxylic acid RefChem:506176 940-955-9 3-(4-methoxyphenyl)-4-methylbenzoic acid

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
70.13
TPSA
46.53

LogP / Solubility

WLOGP
3.37
MLOGP
2.97
XLogP3
3.4
Consensus LogP
3.25
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.39
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)
-1.81

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

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