CAS RN: 1092551-88-6
3-(4-((7-hydroxy-6-methyl-2,3-dihydro-1H-inden-4-yl)methyl)-3,5-dimethyl-1H-pyrazol-1-yl)propanoic acid
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250925 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1092551-88-6
- Purity/Analytical Methods: >99.0%
1092551-88-6 / 3-[4-[(7-hydroxy-6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]-3,5-dimethylpyrazol-1-yl]propanoic acid
TRC-150094 | TRC150094 | B93608MTGW
Basic Information
CAS
1092551-88-6
Multi CAS
No
Molecular Formula
C19H24N2O3
Molecular Weight
328.400000
Exact Mass
328.178693
SMILES
CC1=CC(=C2CCCC2=C1O)CC3=C(N(N=C3C)CCC(=O)O)C
InChI
InChI=1S/C19H24N2O3/c1-11-9-14(15-5-4-6-16(15)19(11)24)10-17-12(2)20-21(13(17)3)8-7-18(22)23/h9,24H,4-8,10H2,1-3H3,(H,22,23)
InChIKey
OFUOCIUIWKDKPA-UHFFFAOYSA-N
Synonyms
TRC-150094
TRC150094
B93608MTGW
TRC 150094
DTXSID70148862
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
11
Fraction Csp3
0.47
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
91.63
TPSA
75.35
LogP / Solubility
WLOGP
3.07
MLOGP
2.72
XLogP3
3.2
Consensus LogP
3
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.94
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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