CAS RN: 956625-04-0
3-(2-METHOXYPHENYL)-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
- Product code: SSC-211224
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
956625-04-0 / 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylic acid
Basic Information
CAS
956625-04-0
Multi CAS
No
Molecular Formula
C17H14N2O3
Molecular Weight
294.300000
Exact Mass
294.100442
InChI
InChI=1S/C17H14N2O3/c1-22-15-10-6-5-9-13(15)16-14(17(20)21)11-19(18-16)12-7-3-2-4-8-12/h2-11H,1H3,(H,20,21)
InChIKey
RTEVZNAZCXZANB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
17
Fraction Csp3
0.06
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
82.51
TPSA
64.35
LogP / Solubility
WLOGP
3.25
MLOGP
2.87
XLogP3
3.1
Consensus LogP
3.07
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.75
Class (SILICOS-IT)
Slightly 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)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
2-Chloro-5,7-difluoroquinoline-3-carbaldehyde
- CAS RN: 956631-90-6
- Product Code: SSC-211225
-
NVP-LDE225
- CAS RN: 956697-53-3
- Product Code: starshine_CAS956697-53-3
- Purity/Analytical method: >99.0%
-
7-bromo-4-fluoroisoquinolin-1(2H)-one
- CAS RN: 956700-15-5
- Product Code: starshine_CAS956700-15-5
- Purity/Analytical method: >99.0%
-
CIS-2-(METHOXYMETHYL)CYCLOPENTANAMINE
- CAS RN: 956722-42-2
- Product Code: starshine_CAS956722-42-2
- Purity/Analytical method: >99.0%
-
N1-(imidazo[1,2-a]pyrazin-8-yl)ethane-1,2-diamine
- CAS RN: 956722-44-4
- Product Code: starshine_CAS956722-44-4
- Purity/Analytical method: >99.0%
-
![CAS 956722-44-4 N1-(imidazo[1,2-a]pyrazin-8-yl)ethane-1,2-diamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/956722-44-4.gif)
