CAS RN: 1264870-21-4
(4-(2-chloro-4-nitrophenyl)piperazin-1-yl)(3-(4-hydroxyphenyl)-5-Methylisoxazol-4-yl)Methanone
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.20250419 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1264870-21-4
- Purity/Analytical Methods: >99.0%
1264870-21-4 / [4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-[3-(4-hydroxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone
Basic Information
CAS
1264870-21-4
Multi CAS
No
Molecular Formula
C21H19ClN4O5
Molecular Weight
442.900000
Exact Mass
442.104397
SMILES
CC1=C(C(=NO1)C2=CC=C(C=C2)O)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl
InChI
InChI=1S/C21H19ClN4O5/c1-13-19(20(23-31-13)14-2-5-16(27)6-3-14)21(28)25-10-8-24(9-11-25)18-7-4-15(26(29)30)12-17(18)22/h2-7,12,27H,8-11H2,1H3
InChIKey
FNZOHHJCUYQDHV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
17
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
1
Molar refractivity
114.56
TPSA
112.95
LogP / Solubility
WLOGP
3.88
MLOGP
3.44
XLogP3
3.6
Consensus LogP
3.64
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.24
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)
-2.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
Bis((6-broMopyridin-2-yl)Methyl)aMine
- CAS RN: 1265139-77-2
- Product Code: starshine_CAS1265139-77-2
- Purity/Analytical method: >99.0%
-
Antifungal agent 1
- CAS RN: 1265166-14-0
- Product Code: starshine_CAS1265166-14-0
- Purity/Analytical method: >99.0%
-
Debio-1347
- CAS RN: 1265229-25-1
- Product Code: starshine_CAS1265229-25-1
- Purity/Analytical method: >99.0%
-
3-(Dimethylamino)-2-(1-(phenylsulfonyl)-1H-indole-2-carbonyl)acrylonitrile
- CAS RN: 1265231-91-1
- Product Code: SSC-033593
-
-
