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CAS 169287-69-8 G(Cbz)-acetic acid molecular structure lightbox
CAS RN: 169287-69-8

G(Cbz)-acetic acid

Product Availability

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250922 1g Out of stock Inquiry
Batchno.20260220 250mg Out of stock Inquiry
Batchno.20260122 250mg In stock Shanghai Inquiry
  • Product code: SSC-073906
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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 169287-69-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

169287-69-8 / 2-[6-oxo-2-(phenylmethoxycarbonylamino)-1H-purin-9-yl]acetic acid

Standard CAS: 169287-69-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
169287-69-8
Multi CAS
No
Molecular Formula
C15H13N5O5
Molecular Weight
343.290000
Exact Mass
343.091669
SMILES
C1=CC=C(C=C1)COC(=O)NC2=NC3=C(C(=O)N2)N=CN3CC(=O)O
InChI
InChI=1S/C15H13N5O5/c21-10(22)6-20-8-16-11-12(20)17-14(18-13(11)23)19-15(24)25-7-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,21,22)(H2,17,18,19,23,24)
InChIKey
PLQMFGXJLNMTQH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
3
Molar refractivity
86.03
TPSA
139.2

LogP / Solubility

WLOGP
0.95
MLOGP
0.86
XLogP3
0.7
Consensus LogP
0.84
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly 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
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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