![CAS 1773489-72-7 4-((N-benzyl-8-chloro-1-methyl-1,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamido)methyl)benzoicacid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1773489-72-7.gif)
CAS RN: 1773489-72-7
4-((N-benzyl-8-chloro-1-methyl-1,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamido)methyl)benzoicacid
Product Availability
Choose a grade to view its available package options.
7 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250123 | 5mg / 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250916 | 100mg | Out of stock | Inquiry | ||
| Batchno.20250621 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250227 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20260121 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250227 | 50mg | Out of stock | Inquiry | ||
| Batchno.20250715 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1773489-72-7
- Purity/Analytical Methods: >99.0%
1773489-72-7 / 4-[[benzyl-(8-chloro-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carbonyl)amino]methyl]benzoic acid
Basic Information
CAS
1773489-72-7
Multi CAS
No
Molecular Formula
C27H22ClN3O4
Molecular Weight
487.900000
Exact Mass
487.129884
SMILES
CN1C2=C(COC3=C2C=C(C=C3)Cl)C(=N1)C(=O)N(CC4=CC=CC=C4)CC5=CC=C(C=C5)C(=O)O
InChI
InChI=1S/C27H22ClN3O4/c1-30-25-21-13-20(28)11-12-23(21)35-16-22(25)24(29-30)26(32)31(14-17-5-3-2-4-6-17)15-18-7-9-19(10-8-18)27(33)34/h2-13H,14-16H2,1H3,(H,33,34)
InChIKey
JYTIXGYXBIBOMN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
23
Fraction Csp3
0.15
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
131.41
TPSA
84.66
LogP / Solubility
WLOGP
5.17
MLOGP
4.59
XLogP3
4.4
Consensus LogP
4.72
Log S (ESOL)
-6.21
Class (ESOL)
Insoluble
Log S (Ali)
-7.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.85
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
![CAS 1773493-87-0 Butanedioic acid, 2,3-bis[[(4-methylphenyl)sulfonyl]oxy]-, 1,4-dimethyl ester, (2R,3R)- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Butanedioic acid, 2,3-bis[[(4-methylphenyl)sulfonyl]oxy]-, 1,4-dimethyl ester, (2R,3R)-
- CAS RN: 1773493-87-0
- Product Code: starshine_CAS1773493-87-0
- Purity/Analytical method: >99.0%
-
1-(cyanomethyl)cyclobutane-1-carboxylic acid
- CAS RN: 1773507-80-4
- Product Code: SSC-077518
-
Cyclobutanecarboxylic acid, 3-(trifluoromethoxy)-,cis-
- CAS RN: 1773508-16-9
- Product Code: SSC-077520
-
1,1,1-Trifluoro-N-[(11bS)-8,9,10,11,12,13,14,15-octahydro-4-oxido-2,6-diphenyl-dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl]methanesulfonamide
- CAS RN: 1773513-29-3
- Product Code: starshine_CAS1773513-29-3
- Purity/Analytical method: >99.0%
-
(5-Fluoro-4-iodo-pyridin-3-yl)-carbamic acid tert-butyl ester
- CAS RN: 1773562-84-7
- Product Code: SSC-077534
-
(5-Amino-2-chloro-4-pyridyl)(cyclopropyl)methanone
- CAS RN: 1773563-10-2
- Product Code: SSC-077535
![CAS 1773493-87-0 Butanedioic acid, 2,3-bis[[(4-methylphenyl)sulfonyl]oxy]-, 1,4-dimethyl ester, (2R,3R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1773493-87-0.gif)
![CAS 1773513-29-3 1,1,1-Trifluoro-N-[(11bS)-8,9,10,11,12,13,14,15-octahydro-4-oxido-2,6-diphenyl-dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl]methanesulfonamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1773513-29-3.gif)
