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CAS 202207-78-1 BOC,ME-EDA HCL molecular structure lightbox
CAS RN: 202207-78-1

BOC,ME-EDA HCL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250130 100mg / 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: SSC-095281
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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 202207-78-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

202207-78-1 / tert-butyl N-(2-aminoethyl)-N-methylcarbamate;hydrochloride

Standard CAS: 202207-78-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
202207-78-1
Multi CAS
No
Molecular Formula
C8H19ClN2O2
Molecular Weight
210.700000
Exact Mass
210.113506
SMILES
CC(C)(C)OC(=O)N(C)CCN.Cl
InChI
InChI=1S/C8H18N2O2.ClH/c1-8(2,3)12-7(11)10(4)6-5-9;/h5-6,9H2,1-4H3;1H
InChIKey
FMNBLKIKMSKZGU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.17
TPSA
55.56

LogP / Solubility

WLOGP
1.23
MLOGP
1.09
XLogP3
1.23
Consensus LogP
1.18
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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