CAS RN: 1261903-47-2
5-Hydroxy-3-(3-Methoxyphenyl)benzoic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251217 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1261903-47-2
- Purity/Analytical Methods: >99.0%
1261903-47-2 / 3-hydroxy-5-(3-methoxyphenyl)benzoic acid
Basic Information
CAS
1261903-47-2
Multi CAS
No
Molecular Formula
C14H12O4
Molecular Weight
244.240000
Exact Mass
244.073559
SMILES
COC1=CC=CC(=C1)C2=CC(=CC(=C2)O)C(=O)O
InChI
InChI=1S/C14H12O4/c1-18-13-4-2-3-9(8-13)10-5-11(14(16)17)7-12(15)6-10/h2-8,15H,1H3,(H,16,17)
InChIKey
BSODLKVIIUWBAJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
67.05
TPSA
66.76
LogP / Solubility
WLOGP
2.77
MLOGP
2.44
XLogP3
2.7
Consensus LogP
2.64
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
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)
-2.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1261909-44-7 3-[4-(EthylcarbaMoyl)-3-fluorophenyl]-4-fluorobenzoic acid molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
3-[4-(EthylcarbaMoyl)-3-fluorophenyl]-4-fluorobenzoic acid
- CAS RN: 1261909-44-7
- Product Code: starshine_CAS1261909-44-7
- Purity/Analytical method: >99.0%
-
3′-Fluoro-[1,1′-biphenyl]-3,4′-dicarboxylic acid
- CAS RN: 1261915-32-5
- Product Code: starshine_CAS1261915-32-5
- Purity/Analytical method: >99.0%
-
4-(3-Chlorophenyl)-2-fluorobenzoic acid
- CAS RN: 1261929-04-7
- Product Code: starshine_CAS1261929-04-7
- Purity/Analytical method: >99.0%
-
4-(4-Carboxy-3-fluorophenyl)-2-fluorobenzoic acid
- CAS RN: 1261929-07-0
- Product Code: starshine_CAS1261929-07-0
- Purity/Analytical method: >99.0%
-
6-(3,5-Dicarboxyphenyl)nicotinic acid
- CAS RN: 1261935-37-8
- Product Code: starshine_CAS1261935-37-8
- Purity/Analytical method: >99.0%
-
2-Chloro-4-(2-N,N-dimethylsulfamoylphenyl)benzoic acid
- CAS RN: 1261939-26-7
- Product Code: starshine_CAS1261939-26-7
- Purity/Analytical method: >99.0%
![CAS 1261909-44-7 3-[4-(EthylcarbaMoyl)-3-fluorophenyl]-4-fluorobenzoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1261909-44-7.gif)
![CAS 1261915-32-5 3′-Fluoro-[1,1′-biphenyl]-3,4′-dicarboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1261915-32-5.gif)
