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CAS 149376-67-0 A(Cbz)-acetic acid molecular structure lightbox
CAS RN: 149376-67-0

A(Cbz)-acetic acid

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250617 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250804 100mg / 250mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batchno.20251215 1g In stock Shanghai Inquiry
Batchno.20260222 250mg In stock Shanghai Inquiry
  • Product code: SSC-059399
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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: 0.25g
  • Available purity: ＞97%
  • 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 149376-67-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry

149376-67-0 / 2-[6-(phenylmethoxycarbonylamino)purin-9-yl]acetic acid

Standard CAS: 149376-67-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
149376-67-0
Multi CAS
No
Molecular Formula
C15H13N5O4
Molecular Weight
327.290000
Exact Mass
327.096754
SMILES
C1=CC=C(C=C1)COC(=O)NC2=C3C(=NC=N2)N(C=N3)CC(=O)O
InChI
InChI=1S/C15H13N5O4/c21-11(22)6-20-9-18-12-13(16-8-17-14(12)20)19-15(23)24-7-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,21,22)(H,16,17,19,23)
InChIKey
ZBOVBYTWJJUTEO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
2
Molar refractivity
83.21
TPSA
119.23

LogP / Solubility

WLOGP
1.66
MLOGP
1.48
XLogP3
0.9
Consensus LogP
1.35
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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