![CAS 1373232-26-8 N-[(1S)-1-(Aminocarbonyl)-4-[(2-chloro-1-iminoethyl)amino]butyl]-benzamide hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1373232-26-8.gif)
CAS RN: 1373232-26-8
N-[(1S)-1-(Aminocarbonyl)-4-[(2-chloro-1-iminoethyl)amino]butyl]-benzamide hydrochloride
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260625 | 100mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20260421 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260327 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20251029 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20251218 | 25mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250503 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260101 | 5mg | In stock | Shanghai | Inquiry | |
| Batchno.20260211 | 5mg | In stock | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS1373232-26-8
- Purity/Analytical Methods: >99.0%
1373232-26-8 / N-[(2S)-1-amino-5-[(1-amino-2-chloroethylidene)amino]-1-oxopentan-2-yl]benzamide;hydrochloride
Basic Information
CAS
1373232-26-8
Multi CAS
No
Molecular Formula
C14H20Cl2N4O2
Molecular Weight
347.200000
Exact Mass
346.096331
SMILES
C1=CC=C(C=C1)C(=O)N[C@@H](CCCN=C(CCl)N)C(=O)N.Cl
InChI
InChI=1S/C14H19ClN4O2.ClH/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10;/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21);1H/t11-;/m0./s1
InChIKey
OPFMEGSAOZAJIV-MERQFXBCSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
3
Molar refractivity
90.58
TPSA
110.57
LogP / Solubility
WLOGP
1.07
MLOGP
0.96
XLogP3
1.07
Consensus LogP
1.03
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.08
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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