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CAS 365998-35-2 benzyl N-[(1S,2R,4S)-2-{[(tert-butoxy)carbonyl]amino}-4-(dimethylcarbamoyl)cyclohexyl]carbamate molecular structure lightbox
CAS RN: 365998-35-2

benzyl N-[(1S,2R,4S)-2-{[(tert-butoxy)carbonyl]amino}-4-(dimethylcarbamoyl)cyclohexyl]carbamate

  • Product code: SSC-143803
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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: ≥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 365998-35-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

365998-35-2 / benzyl N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate

Standard CAS: 365998-35-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
365998-35-2
Multi CAS
Yes
Molecular Formula
C22H33N3O5
Molecular Weight
419.500000
Exact Mass
419.242021
InChI
InChI=1S/C22H33N3O5/c1-22(2,3)30-21(28)24-18-13-16(19(26)25(4)5)11-12-17(18)23-20(27)29-14-15-9-7-6-8-10-15/h6-10,16-18H,11-14H2,1-5H3,(H,23,27)(H,24,28)/t16-,17-,18+/m0/s1
InChIKey
BHLRESHKGHNBEV-OKZBNKHCSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
112.74
TPSA
96.97

LogP / Solubility

WLOGP
3.06
MLOGP
2.72
XLogP3
2.6
Consensus LogP
2.79
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.53
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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