CAS RN: 1206456-44-1
Olopatadine Isopropyl ester Hydrochloride
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.20260312 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1206456-44-1
- Purity/Analytical Methods: >99.0%
1206456-44-1 / propan-2-yl 2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetate
Olopatadine Isopropyl Ester | OlopatadineIsopropylEster | propan-2-yl 2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetate
Basic Information
CAS
1206456-44-1
Multi CAS
Yes
Molecular Formula
C24H29NO3
Molecular Weight
379.500000
Exact Mass
379.214744
SMILES
CC(C)OC(=O)CC1=CC\2=C(C=C1)OCC3=CC=CC=C3/C2=C/CCN(C)C
InChI
InChI=1S/C24H29NO3/c1-17(2)28-24(26)15-18-11-12-23-22(14-18)21(10-7-13-25(3)4)20-9-6-5-8-19(20)16-27-23/h5-6,8-12,14,17H,7,13,15-16H2,1-4H3/b21-10-
InChIKey
AEZOYXJGZPHCRI-FBHDLOMBSA-N
Synonyms
Olopatadine Isopropyl Ester
OlopatadineIsopropylEster
propan-2-yl 2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetate
Olopatadine Isopropyl Ester; (11Z)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenz[b,e]oxepin-2-acetic acid 1-methylethyl ester
Olopatadine Impurity 10
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
112.4
TPSA
38.77
LogP / Solubility
WLOGP
4.46
MLOGP
3.94
XLogP3
4.9
Consensus LogP
4.43
Log S (ESOL)
-4.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.55
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
4-(TRIFLUOROMETHYL)PYRIMIDINE-2-CARBONITRILE
- CAS RN: 1206459-86-0
- Product Code: SSC-021686
-
4,4′-Dihydroxy-3,3′,9-triMethoxy-9,9′-epoxylignan
- CAS RN: 1206464-65-4
- Product Code: starshine_CAS1206464-65-4
- Purity/Analytical method: >99.0%
-
-
-
-
1,2-Pyrrolidinedicarboxylic acid, 4-[(3-chloro-7-Methoxy-2-quinoxalinyl)oxy]-, 1-(1,1-diMethylethyl) 2-Methyl ester,(2S,4R)-
- CAS RN: 1206524-79-9
- Product Code: starshine_CAS1206524-79-9
- Purity/Analytical method: >99.0%
![CAS 1206487-36-6 6,8-Dibromoimidazo[1,2-b]pyridazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1206487-36-6.gif)
![CAS 1206524-79-9 1,2-Pyrrolidinedicarboxylic acid, 4-[(3-chloro-7-Methoxy-2-quinoxalinyl)oxy]-, 1-(1,1-diMethylethyl) 2-Methyl ester,(2S,4R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1206524-79-9.gif)