CAS RN: 146815-23-8
N-(4-NITROPHENYLSULFONYL)-L-PHENYLALANYL CHLORIDE
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.20251218 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS146815-23-8
- Purity/Analytical Methods: >99.0%
146815-23-8 / (2S)-2-[(4-nitrophenyl)sulfonylamino]-3-phenylpropanoyl chloride
Basic Information
CAS
146815-23-8
Multi CAS
No
Molecular Formula
C15H13ClN2O5S
Molecular Weight
368.800000
Exact Mass
368.023370
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)Cl)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H13ClN2O5S/c16-15(19)14(10-11-4-2-1-3-5-11)17-24(22,23)13-8-6-12(7-9-13)18(20)21/h1-9,14,17H,10H2
InChIKey
RYQIQECSYJRDBT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
1
Molar refractivity
88.21
TPSA
106.38
LogP / Solubility
WLOGP
2.25
MLOGP
2
XLogP3
3.3
Consensus LogP
2.52
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
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
No
Log Kp (skin permeation)
-3.37
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
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