![CAS 1332612-57-3 Thieno[3,2-c]pyridine-5(4H)-acetic acid, α-(2-chlorophenyl)-6,7-dihydro-, (αS)-, ethyl ester, sulfate (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1332612-57-3.gif)
CAS RN: 1332612-57-3
Thieno[3,2-c]pyridine-5(4H)-acetic acid, α-(2-chlorophenyl)-6,7-dihydro-, (αS)-, ethyl ester, sulfate (1:1)
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.20250423 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1332612-57-3
- Purity/Analytical Methods: >99.0%
1332612-57-3 / ethyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate;sulfuric acid
Basic Information
CAS
1332612-57-3
Multi CAS
No
Molecular Formula
C17H20ClNO6S2
Molecular Weight
433.900000
Exact Mass
433.042057
SMILES
CCOC(=O)[C@H](C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3.OS(=O)(=O)O
InChI
InChI=1S/C17H18ClNO2S.H2O4S/c1-2-21-17(20)16(13-5-3-4-6-14(13)18)19-9-7-15-12(11-19)8-10-22-15;1-5(2,3)4/h3-6,8,10,16H,2,7,9,11H2,1H3;(H2,1,2,3,4)/t16-;/m0./s1
InChIKey
CZPQIIDIBKISIG-NTISSMGPSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
11
Fraction Csp3
0.35
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
103.44
TPSA
104.14
LogP / Solubility
WLOGP
3.41
MLOGP
3.03
XLogP3
3.41
Consensus LogP
3.28
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.79
Class (SILICOS-IT)
Slightly soluble
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)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
4-Methyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid
- CAS RN: 1332627-31-2
- Product Code: SSC-039940
-
Carbamic acid, N-(1,1-dioxido-3-thietanyl)-, 1,1-dimethylethyl ester
- CAS RN: 1332628-90-6
- Product Code: SSC-039941
-
TERT-BUTYL 3-HYDROXYCYCLOHEXYL(METHYL)CARBAMATE
- CAS RN: 1332632-81-1
- Product Code: SSC-039942
-
2-methoxy-3-(methoxycarbonyl)phenylboronic acid
- CAS RN: 1332637-14-5
- Product Code: SSC-039943
-
1-(4-Bromo-2-fluorophenyl)-2-methyl-1-propanol
- CAS RN: 1332651-40-7
- Product Code: SSC-039945
-
5-PyriMidinecarboxaMide, 4-[(2-Methylpropyl)aMino]-N-(phenylMethyl)-2-[4-[(tetrahydro-2H-pyran-3-yl)Methyl]-1-piperazinyl]-
- CAS RN: 1332708-14-1
- Product Code: starshine_CAS1332708-14-1
- Purity/Analytical method: >99.0%
![CAS 1332708-14-1 5-PyriMidinecarboxaMide, 4-[(2-Methylpropyl)aMino]-N-(phenylMethyl)-2-[4-[(tetrahydro-2H-pyran-3-yl)Methyl]-1-piperazinyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1332708-14-1.gif)