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CAS 688763-83-9 Benzyl (1-(Methoxy(Methyl)Amino)-1-Oxopropan-2-Yl)Carbamate molecular structure lightbox
CAS RN: 688763-83-9

Benzyl (1-(Methoxy(Methyl)Amino)-1-Oxopropan-2-Yl)Carbamate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251211 100mg Out of stock 15 business days Inquiry
  • Product code: SSC-178542
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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 688763-83-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

688763-83-9 / benzyl N-[1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate

Standard CAS: 688763-83-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
688763-83-9
Multi CAS
No
Molecular Formula
C13H18N2O4
Molecular Weight
266.290000
Exact Mass
266.126657
InChI
InChI=1S/C13H18N2O4/c1-10(12(16)15(2)18-3)14-13(17)19-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,14,17)
InChIKey
JJWLCBIYQXRMNO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
69
TPSA
67.87

LogP / Solubility

WLOGP
1.32
MLOGP
1.17
XLogP3
1.4
Consensus LogP
1.3
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
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)
-3.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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