CAS RN: 59748-15-1
4-(PENTYLOXY)-4′-BIPHENYLCARBOXYLIC ACID
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251214 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS59748-15-1
- Purity/Analytical Methods: >99.0%
59748-15-1 / 4-(4-pentoxyphenyl)benzoic acid
Basic Information
CAS
59748-15-1
Multi CAS
Yes
Molecular Formula
C18H20O3
Molecular Weight
284.300000
Exact Mass
284.141245
InChI
InChI=1S/C18H20O3/c1-2-3-4-13-21-17-11-9-15(10-12-17)14-5-7-16(8-6-14)18(19)20/h5-12H,2-4,13H2,1H3,(H,19,20)
InChIKey
RBJMVQVMVYPYED-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
1
Molar refractivity
83.86
TPSA
46.53
LogP / Solubility
WLOGP
4.62
MLOGP
4.08
XLogP3
5.7
Consensus LogP
4.8
Log S (ESOL)
-4.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.18
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
4-N-OCTYLOXYBIPHENYL-4′-CARBOXYLIC ACID
- CAS RN: 59748-18-4
- Product Code: starshine_CAS59748-18-4
- Purity/Analytical method: >99.0%
-
-
1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE
- CAS RN: 59752-57-7
- Product Code: SSC-168284
-
-
(S)-(-)-2-OXO-1,5-IMIDAZOLIDINEDICARBOXYLIC ACID 1-BENZYL ESTER
- CAS RN: 59760-01-9
- Product Code: SSC-168304
-
