![CAS 70736-27-5 Acetic acid, 2-chloro-2-[2-(4-methoxyphenyl)hydrazinylidene]-, methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/70736-27-5.gif)
CAS RN: 70736-27-5
Acetic acid, 2-chloro-2-[2-(4-methoxyphenyl)hydrazinylidene]-, methyl ester
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.20251106 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS70736-27-5
- Purity/Analytical Methods: >99.0%
70736-27-5 / methyl 2-chloro-2-[(4-methoxyphenyl)hydrazinylidene]acetate
Basic Information
CAS
70736-27-5
Multi CAS
Yes
Molecular Formula
C10H11CLN2O3
Molecular Weight
242.660000
Exact Mass
242.045820
InChI
InChI=1S/C10H11ClN2O3/c1-15-8-5-3-7(4-6-8)12-13-9(11)10(14)16-2/h3-6,12H,1-2H3/b13-9-
InChIKey
IPYYPYTUZHFTKC-LCYFTJDESA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
61.92
TPSA
59.92
LogP / Solubility
WLOGP
1.83
MLOGP
1.62
XLogP3
3.7
Consensus LogP
2.38
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.24
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)
-2.9
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
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