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CAS 394735-26-3 (1R,2S,5S)-Methyl 3-((S)-2-(3-(t-butyl)ureido)-3,3-diMethyl butanoyl)-6,6-diMethyl-3-azabicyclo [3.1.0]hexane-2-carboxylate molecular structure lightbox
CAS RN: 394735-26-3

(1R,2S,5S)-Methyl 3-((S)-2-(3-(t-butyl)ureido)-3,3-diMethyl butanoyl)-6,6-diMethyl-3-azabicyclo [3.1.0]hexane-2-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260605 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-147130
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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 394735-26-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 0 Out of Stock Shenzhen Inquiry

394735-26-3 / methyl 3-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate

Standard CAS: 394735-26-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
394735-26-3
Multi CAS
Yes
Molecular Formula
C20H34N2O5
Molecular Weight
382.500000
Exact Mass
382.246772
InChI
InChI=1S/C20H34N2O5/c1-18(2,3)14(21-17(25)27-19(4,5)6)15(23)22-10-11-12(20(11,7)8)13(22)16(24)26-9/h11-14H,10H2,1-9H3,(H,21,25)
InChIKey
AVAMRGOONZYOCL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.85
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
100.89
TPSA
84.94

LogP / Solubility

WLOGP
2.58
MLOGP
2.29
XLogP3
3.4
Consensus LogP
2.76
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
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)
-3.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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