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CAS 102123-74-0 (S)-tert-Butyl (4-chloro-3-oxo-1-phenylbutan-2-yl)carbamate molecular structure lightbox
CAS RN: 102123-74-0

(S)-tert-Butyl (4-chloro-3-oxo-1-phenylbutan-2-yl)carbamate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260527 10g / 25g / 100g / 500g Out of stock 5-7 business days Inquiry
  • Product code: SSC-003386
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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: 100g
  • 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 102123-74-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shenzhen Inquiry

102123-74-0 / tert-butyl N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]carbamate

tert-butyl N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]carbamate | tert-butyl N-((2S)-4-chloro-3-oxo-1-phenylbutan-2-yl)carbamate | RefChem:894941

Standard CAS: 102123-74-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
102123-74-0
Multi CAS
Yes
Molecular Formula
C15H20ClNO3
Molecular Weight
297.780000
Exact Mass
297.113171
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)CCl
InChI
InChI=1S/C15H20ClNO3/c1-15(2,3)20-14(19)17-12(13(18)10-16)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,19)/t12-/m0/s1
InChIKey
JAKDNFBATYIEIE-LBPRGKRZSA-N
Synonyms
tert-butyl N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]carbamate tert-butyl N-((2S)-4-chloro-3-oxo-1-phenylbutan-2-yl)carbamate RefChem:894941 897-720-8 (3S)-3-(TERT-BUTOXYCARBONYL)AMINO-1-CHLORO-4-PHENYL-2-BUTANONE

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
79.03
TPSA
55.4

LogP / Solubility

WLOGP
2.93
MLOGP
2.59
XLogP3
3.3
Consensus LogP
2.94
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.63
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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