CAS RN: 146864-62-2
N-(1-NAPHTHALENESULFONYL)-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.20260503 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS146864-62-2
- Purity/Analytical Methods: >99.0%
146864-62-2 / (2S)-2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoyl chloride
Basic Information
CAS
146864-62-2
Multi CAS
No
Molecular Formula
C19H16ClNO3S
Molecular Weight
373.900000
Exact Mass
373.053942
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)Cl)NS(=O)(=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C19H16ClNO3S/c20-19(22)17(13-14-7-2-1-3-8-14)21-25(23,24)18-12-6-10-15-9-4-5-11-16(15)18/h1-12,17,21H,13H2/t17-/m0/s1
InChIKey
CDECDNASIKPCAM-KRWDZBQOSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.11
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
99.06
TPSA
63.24
LogP / Solubility
WLOGP
3.49
MLOGP
3.1
XLogP3
4.7
Consensus LogP
3.76
Log S (ESOL)
-4.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.71
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.52
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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