CAS RN: 1187927-89-4
4-Hydrazinylphenyl pivalate 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.20260208 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1187927-89-4
- Purity/Analytical Methods: >99.0%
1187927-89-4 / (4-hydrazinylphenyl) 2,2-dimethylpropanoate;hydrochloride
4-HYDRAZINYLPHENYL PIVALATE HYDROCHLORIDE | 2,2-DIMETHYL-PROPIONIC ACID 4-HYDRAZINO-PHENYL ESTER HYDROCHLORIDE | (4-hydrazinylphenyl) 2,2-dimethylpropanoate;hydrochloride
Basic Information
CAS
1187927-89-4
Multi CAS
No
Molecular Formula
C11H17ClN2O2
Molecular Weight
244.720000
Exact Mass
244.097856
SMILES
CC(C)(C)C(=O)OC1=CC=C(C=C1)NN.Cl
InChI
InChI=1S/C11H16N2O2.ClH/c1-11(2,3)10(14)15-9-6-4-8(13-12)5-7-9;/h4-7,13H,12H2,1-3H3;1H
InChIKey
JHQIADUGILCEPV-UHFFFAOYSA-N
Synonyms
4-HYDRAZINYLPHENYL PIVALATE HYDROCHLORIDE
2,2-DIMETHYL-PROPIONIC ACID 4-HYDRAZINO-PHENYL ESTER HYDROCHLORIDE
(4-hydrazinylphenyl) 2,2-dimethylpropanoate;hydrochloride
MFCD06738811
SCHEMBL20679035
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
66.59
TPSA
64.35
LogP / Solubility
WLOGP
2.35
MLOGP
2.07
XLogP3
2.35
Consensus LogP
2.26
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
4-(AMINOMETHYL)-2-FLUOROBENZONITRILE HYDROCHLORIDE
- CAS RN: 1187927-96-3
- Product Code: SSC-018795
-
6-Methoxycarbonyl-2,3-dihydro-1H-indole hydrochloride
- CAS RN: 1187928-05-7
- Product Code: SSC-018797
-
1-(2-Bromo-phenyl)-ethylamine hydrochloride
- CAS RN: 1187928-17-1
- Product Code: SSC-018798
-
4-Amino-3-methyl-piperidine-1-carboxylic acid tert-butyl ester oxalate
- CAS RN: 1187928-30-8
- Product Code: SSC-018799
-
Methyl 6-broMobenzo[d]thiazole-2-carboxylate
- CAS RN: 1187928-41-1
- Product Code: SSC-018800
![CAS 1187928-41-1 Methyl 6-broMobenzo[d]thiazole-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1187928-41-1.gif)