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CAS 1204820-70-1 3-Azabicyclo[3.1.0]hexane-1-carboxylic acid, 3-(phenylmethyl)-, ethyl ester, (1R,5R)- molecular structure lightbox
CAS RN: 1204820-70-1

3-Azabicyclo[3.1.0]hexane-1-carboxylic acid, 3-(phenylmethyl)-, ethyl ester, (1R,5R)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260209 100mg / 250mg / 1g Out of stock 2 business days Inquiry
  • Product code: SSC-021510
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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 1204820-70-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1204820-70-1 / ethyl (1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexane-1-carboxylate

Ethyl (1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexane-1-carboxylate | MFCD34551152 | SCHEMBL13537596

Standard CAS: 1204820-70-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1204820-70-1
Multi CAS
Yes
Molecular Formula
C15H19NO2
Molecular Weight
245.320000
Exact Mass
245.141579
SMILES
CCOC(=O)[C@]12C[C@H]1CN(C2)CC3=CC=CC=C3
InChI
InChI=1S/C15H19NO2/c1-2-18-14(17)15-8-13(15)10-16(11-15)9-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3/t13-,15-/m0/s1
InChIKey
UFLBURFPRRPJQT-ZFWWWQNUSA-N
Synonyms
Ethyl (1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexane-1-carboxylate MFCD34551152 SCHEMBL13537596 SY333322 DB-157222

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
68.89
TPSA
29.54

LogP / Solubility

WLOGP
2.07
MLOGP
1.83
XLogP3
2
Consensus LogP
1.97
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.75

Drug-likeness / Medicinal Chemistry

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

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