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CAS 309296-08-0 5-Pyrimidinepropanoicacid,alpha-amino-,(alphaS)-(9CI) molecular structure lightbox
CAS RN: 309296-08-0

5-Pyrimidinepropanoicacid,alpha-amino-,(alphaS)-(9CI)

  • Product code: SSC-136066
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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 309296-08-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

309296-08-0 / (2S)-2-amino-3-pyrimidin-5-ylpropanoic acid

Standard CAS: 309296-08-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
309296-08-0
Multi CAS
Yes
Molecular Formula
C7H9N3O2
Molecular Weight
167.170000
Exact Mass
167.069477
InChI
InChI=1S/C7H9N3O2/c8-6(7(11)12)1-5-2-9-4-10-3-5/h2-4,6H,1,8H2,(H,11,12)/t6-/m0/s1
InChIKey
UFURPNJIXOBVRS-LURJTMIESA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
41.35
TPSA
89.1

LogP / Solubility

WLOGP
-0.57
MLOGP
-0.5
XLogP3
-3.1
Consensus LogP
-1.39
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-0.52
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.63
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.14

Drug-likeness / Medicinal Chemistry

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

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