CAS RN: 733784-27-5
5-(PYRROLIDIN-1-YLMETHYL)THIOPHENE-2-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.20260516 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS733784-27-5
- Purity/Analytical Methods: >99.0%
733784-27-5 / 5-(pyrrolidin-1-ylmethyl)thiophene-2-carboxylic acid
Basic Information
CAS
733784-27-5
Multi CAS
Yes
Molecular Formula
C10H13NO2S
Molecular Weight
211.280000
Exact Mass
211.066700
InChI
InChI=1S/C10H13NO2S/c12-10(13)9-4-3-8(14-9)7-11-5-1-2-6-11/h3-4H,1-2,5-7H2,(H,12,13)
InChIKey
IXJBEWGBFYWXLX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.79
TPSA
40.54
LogP / Solubility
WLOGP
2.04
MLOGP
1.8
XLogP3
-0.5
Consensus LogP
1.11
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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