CAS RN: 351416-83-6
1H-Pyrrole-3-carboxylicacid,1,4-dimethyl-(9CI)
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260427 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINH926401
351416-83-6 / 1,4-dimethylpyrrole-3-carboxylic acid
Basic Information
CAS
351416-83-6
Multi CAS
No
Molecular Formula
C7H9NO2
Molecular Weight
139.150000
Exact Mass
139.063329
InChI
InChI=1S/C7H9NO2/c1-5-3-8(2)4-6(5)7(9)10/h3-4H,1-2H3,(H,9,10)
InChIKey
ZBLURRDKXCKUJC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.11
TPSA
42.23
LogP / Solubility
WLOGP
1.03
MLOGP
0.9
XLogP3
0.6
Consensus LogP
0.84
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
Class (SILICOS-IT)
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)
-2.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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