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CAS 1702381-37-0 (1S,3R)-METHYL 3-(TERT-BUTOXYCARBONYLAMINO)CYCLOHEXANECARBOXYLATE molecular structure lightbox
CAS RN: 1702381-37-0

(1S,3R)-METHYL 3-(TERT-BUTOXYCARBONYLAMINO)CYCLOHEXANECARBOXYLATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251005 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-074840
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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: 0.25g
  • 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 1702381-37-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1702381-37-0 / cis-methyl (1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate

Standard CAS: 1702381-37-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1702381-37-0
Multi CAS
No
Molecular Formula
C13H23NO4
Molecular Weight
257.330000
Exact Mass
257.162708
SMILES
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)OC
InChI
InChI=1S/C13H23NO4/c1-13(2,3)18-12(16)14-10-7-5-6-9(8-10)11(15)17-4/h9-10H,5-8H2,1-4H3,(H,14,16)/t9-,10+/m0/s1
InChIKey
ADEPCDOPYIWFOH-VHSXEESVSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
67.13
TPSA
64.63

LogP / Solubility

WLOGP
2.24
MLOGP
1.98
XLogP3
2.1
Consensus LogP
2.11
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly 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)
-2.7

Drug-likeness / Medicinal Chemistry

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

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