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CAS 1638768-01-0 Methyl3-(((tert-butoxycarbonyl)amino)methyl)bicyclo[1.1.1]pentane-1-carboxylate molecular structure lightbox
CAS RN: 1638768-01-0

Methyl3-(((tert-butoxycarbonyl)amino)methyl)bicyclo[1.1.1]pentane-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260323 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-071426
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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 1638768-01-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1638768-01-0 / methyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]bicyclo[1.1.1]pentane-1-carboxylate

Standard CAS: 1638768-01-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1638768-01-0
Multi CAS
No
Molecular Formula
C13H21NO4
Molecular Weight
255.310000
Exact Mass
255.147058
SMILES
CC(C)(C)OC(=O)NCC12CC(C1)(C2)C(=O)OC
InChI
InChI=1S/C13H21NO4/c1-11(2,3)18-10(16)14-8-12-5-13(6-12,7-12)9(15)17-4/h5-8H2,1-4H3,(H,14,16)
InChIKey
ZWDDXONULXBIDW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.85
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
64.97
TPSA
64.63

LogP / Solubility

WLOGP
1.85
MLOGP
1.64
XLogP3
1.3
Consensus LogP
1.6
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.22
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)
-2.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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