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CAS 5330-63-2 ert-butyl N-(3-chlorophenyl)carbamate molecular structure lightbox
CAS RN: 5330-63-2

ert-butyl N-(3-chlorophenyl)carbamate

  • Product code: SSC-160566
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 5330-63-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

5330-63-2 / tert-butyl N-(3-chlorophenyl)carbamate

Standard CAS: 5330-63-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5330-63-2
Multi CAS
Yes
Molecular Formula
C11H14CLNO2
Molecular Weight
227.690000
Exact Mass
227.071306
InChI
InChI=1S/C11H14ClNO2/c1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9/h4-7H,1-3H3,(H,13,14)
InChIKey
NHKRPSNCGCLFHJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.31
TPSA
38.33

LogP / Solubility

WLOGP
3.69
MLOGP
3.25
XLogP3
3.6
Consensus LogP
3.51
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.32
Class (SILICOS-IT)
Slightly 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)
-1.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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