CAS RN: 49743-87-5
4′-HYDROXYMETHYL-BIPHENYL-4-CARBOXYLIC 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.20250319 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS49743-87-5
- Purity/Analytical Methods: >99.0%
49743-87-5 / 4-[4-(hydroxymethyl)phenyl]benzoic acid
Basic Information
CAS
49743-87-5
Multi CAS
No
Molecular Formula
C14H12O3
Molecular Weight
228.240000
Exact Mass
228.078644
InChI
InChI=1S/C14H12O3/c15-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)14(16)17/h1-8,15H,9H2,(H,16,17)
InChIKey
KFUFJTLYVMRPLV-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
2
H-bond donors
2
Molar refractivity
64.76
TPSA
57.53
LogP / Solubility
WLOGP
2.54
MLOGP
2.24
XLogP3
2.6
Consensus LogP
2.46
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
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)
-2.31
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
-
2-(2-PYRIDINYL)-1,3-PROPANEDIOL
- CAS RN: 49745-42-8
- Product Code: starshine_CAS49745-42-8
- Purity/Analytical method: >99.0%
-
-
2-(2-METHOXY-ETHOXY)-5-TRIFLUOROMETHYL-PHENYLAMINE
- CAS RN: 49750-74-5
- Product Code: SSC-156033
-
Garamine
- CAS RN: 49751-51-1
- Product Code: starshine_CAS49751-51-1
- Purity/Analytical method: >99.0%
-
-
