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CAS 1391465-94-3 (R)-METHYL 3-(5-BROMOPYRIDIN-2-YL)-2-(BOC-AMINO)PROPANOATE molecular structure lightbox
CAS RN: 1391465-94-3

(R)-METHYL 3-(5-BROMOPYRIDIN-2-YL)-2-(BOC-AMINO)PROPANOATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260321 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-049489
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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 1391465-94-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

1391465-94-3 / methyl (2R)-3-(5-bromo-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Standard CAS: 1391465-94-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1391465-94-3
Multi CAS
No
Molecular Formula
C14H19BrN2O4
Molecular Weight
359.220000
Exact Mass
358.052820
SMILES
CC(C)(C)OC(=O)N[C@H](CC1=NC=C(C=C1)Br)C(=O)OC
InChI
InChI=1S/C14H19BrN2O4/c1-14(2,3)21-13(19)17-11(12(18)20-4)7-10-6-5-9(15)8-16-10/h5-6,8,11H,7H2,1-4H3,(H,17,19)/t11-/m1/s1
InChIKey
NYOJIOILNSLTLC-LLVKDONJSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
80.81
TPSA
77.52

LogP / Solubility

WLOGP
2.45
MLOGP
2.18
XLogP3
2.5
Consensus LogP
2.38
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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