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CAS 192323-61-8 CarbaMic acid,[trans-4-[[[(1,1-diMethylethoxy)carbonyl]aMino]Methyl]cyclohexyl]-, phenylMethyl ester molecular structure lightbox
CAS RN: 192323-61-8

CarbaMic acid,[trans-4-[[[(1,1-diMethylethoxy)carbonyl]aMino]Methyl]cyclohexyl]-, phenylMethyl ester

  • Product code: SSC-090008
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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 192323-61-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

192323-61-8 / benzyl N-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]carbamate

Standard CAS: 192323-61-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
192323-61-8
Multi CAS
No
Molecular Formula
C20H30N2O4
Molecular Weight
362.500000
Exact Mass
362.220557
SMILES
CC(C)(C)OC(=O)NCC1CCC(CC1)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C20H30N2O4/c1-20(2,3)26-18(23)21-13-15-9-11-17(12-10-15)22-19(24)25-14-16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3,(H,21,23)(H,22,24)
InChIKey
YJVLJAHELNUUFC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
99.75
TPSA
76.66

LogP / Solubility

WLOGP
4
MLOGP
3.54
XLogP3
3.7
Consensus LogP
3.75
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.93
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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