CAS RN: 6296-89-5
4-HYDRAZINOBENZOIC ACID METHYL ESTER HYDROCHLORIDE
- Product code: SSC-172402
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
6296-89-5 / methyl 4-hydrazinylbenzoate;hydrochloride
Basic Information
CAS
6296-89-5
Multi CAS
Yes
Molecular Formula
C8H11CLN2O2
Molecular Weight
202.640000
Exact Mass
202.050905
InChI
InChI=1S/C8H10N2O2.ClH/c1-12-8(11)6-2-4-7(10-9)5-3-6;/h2-5,10H,9H2,1H3;1H
InChIKey
MXSGRGCOQOKOEH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
52.84
TPSA
64.35
LogP / Solubility
WLOGP
1.18
MLOGP
1.04
XLogP3
1.18
Consensus LogP
1.13
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
Class (SILICOS-IT)
Moderately 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)
-3.12
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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4-AMINO-ALPHA-DIETHYLAMINO-O-CRESOL DIHYDROCHLORIDE
- CAS RN: 6297-14-9
- Product Code: starshine_CAS6297-14-9
- Purity/Analytical method: >99.0%
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