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CAS 1028077-12-4 N2-Boc-guanine-9-acetic acid molecular structure lightbox
CAS RN: 1028077-12-4

N2-Boc-guanine-9-acetic acid

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260127 100mg In stock Shanghai Inquiry
Batchno.20250204 10g In stock Shanghai Inquiry
Batchno.20250919 1g In stock Shanghai Inquiry
Batchno.20251001 250mg In stock Shanghai Inquiry
Batchno.20260606 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260201 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-004154
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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 1028077-12-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1028077-12-4 / 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-1H-purin-9-yl]acetic acid

N2-Boc-guanine-9-acetic acid | 2-(2-((tert-Butoxycarbonyl)amino)-6-oxo-1H-purin-9(6H)-yl)acetic acid | MFCD24466541

Standard CAS: 1028077-12-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1028077-12-4
Multi CAS
Yes
Molecular Formula
C12H15N5O5
Molecular Weight
309.280000
Exact Mass
309.107319
SMILES
CC(C)(C)OC(=O)NC1=NC2=C(C(=O)N1)N=CN2CC(=O)O
InChI
InChI=1S/C12H15N5O5/c1-12(2,3)22-11(21)16-10-14-8-7(9(20)15-10)13-5-17(8)4-6(18)19/h5H,4H2,1-3H3,(H,18,19)(H2,14,15,16,20,21)
InChIKey
CALJQZKJKDPZDN-UHFFFAOYSA-N
Synonyms
N2-Boc-guanine-9-acetic acid 2-(2-((tert-Butoxycarbonyl)amino)-6-oxo-1H-purin-9(6H)-yl)acetic acid MFCD24466541 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-1H-purin-9-yl]acetic acid 2-(2-(Boc-amino)-6-oxo-1H-purin-9(6H)-yl)acetic acid

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
3
Molar refractivity
75.64
TPSA
139.2

LogP / Solubility

WLOGP
0.55
MLOGP
0.5
XLogP3
0.1
Consensus LogP
0.38
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
Class (SILICOS-IT)
Moderately 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)
-4.22

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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