CAS RN: 99578-58-2
5-Phenyl-3-thiophenecarboxylic 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.20260508 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS99578-58-2
- Purity/Analytical Methods: >99.0%
99578-58-2 / 5-phenylthiophene-3-carboxylic acid
Basic Information
CAS
99578-58-2
Multi CAS
No
Molecular Formula
C11H8O2S
Molecular Weight
204.250000
Exact Mass
204.024501
InChI
InChI=1S/C11H8O2S/c12-11(13)9-6-10(14-7-9)8-4-2-1-3-5-8/h1-7H,(H,12,13)
InChIKey
UPASVLUUTUDFMY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.71
TPSA
37.3
LogP / Solubility
WLOGP
3.11
MLOGP
2.74
XLogP3
2.8
Consensus LogP
2.88
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
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)
-1.76
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-aMino-3-cyano-4-hydroxythiophene
- CAS RN: 99580-50-4
- Product Code: starshine_CAS99580-50-4
- Purity/Analytical method: >99.0%
-
5-amino-3-methyl-1,3-benzoxazol-2(3H)-one(SALTDATA: FREE)
- CAS RN: 99584-09-5
- Product Code: SSC-213244
-
-
2-Methyl-4-nitrobenzamide
- CAS RN: 99584-16-4
- Product Code: starshine_CAS99584-16-4
- Purity/Analytical method: >99.0%
-
-
