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CAS 183545-02-0 Carbamic acid, (4-oxo-2-cyclohexen-1-yl)-, 1,1-dimethylethyl ester, (S)- (9CI) molecular structure lightbox
CAS RN: 183545-02-0

Carbamic acid, (4-oxo-2-cyclohexen-1-yl)-, 1,1-dimethylethyl ester, (S)- (9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250912 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-084892
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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: 1g
  • Available purity: ≥95%
  • 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 183545-02-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

183545-02-0 / tert-butyl N-[(1S)-4-oxocyclohex-2-en-1-yl]carbamate

Standard CAS: 183545-02-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
183545-02-0
Multi CAS
No
Molecular Formula
C11H17NO3
Molecular Weight
211.260000
Exact Mass
211.120843
SMILES
CC(C)(C)OC(=O)N[C@H]1CCC(=O)C=C1
InChI
InChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8/h4,6,8H,5,7H2,1-3H3,(H,12,14)/t8-/m1/s1
InChIKey
QGAMBGGFAOFTCM-MRVPVSSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.64
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.54
TPSA
55.4

LogP / Solubility

WLOGP
1.8
MLOGP
1.58
XLogP3
1.2
Consensus LogP
1.53
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately 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)
-2.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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