CAS RN: 31793-07-4
Pirprofen
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.20251201 | 5mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS31793-07-4
- Purity/Analytical Methods: >99.0%
31793-07-4 / 2-[3-chloro-4-(2,5-dihydropyrrol-1-yl)phenyl]propanoic acid
Basic Information
CAS
31793-07-4
Multi CAS
Yes
Molecular Formula
C13H14CLNO2
Molecular Weight
251.710000
Exact Mass
251.071306
InChI
InChI=1S/C13H14ClNO2/c1-9(13(16)17)10-4-5-12(11(14)8-10)15-6-2-3-7-15/h2-5,8-9H,6-7H2,1H3,(H,16,17)
InChIKey
PIDSZXPFGCURGN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.86
TPSA
40.54
LogP / Solubility
WLOGP
2.9
MLOGP
2.56
XLogP3
2.9
Consensus LogP
2.79
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
Customers Also Viewed
-
-
3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-6-SULFONYL CHLORIDE
- CAS RN: 31794-45-3
- Product Code: SSC-137242
-
-
-
-
H-ALA-PNA HCL
- CAS RN: 31796-55-1
- Product Code: starshine_CAS31796-55-1
- Purity/Analytical method: >99.0%
