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CAS 1398534-55-8 1-(Boc-aMinoMethyl)-3-(5-tetrazolyl)benzene molecular structure lightbox
CAS RN: 1398534-55-8

1-(Boc-aMinoMethyl)-3-(5-tetrazolyl)benzene

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250425 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-050365
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.1g, 0.25g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1398534-55-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
5g >97% 3 In Stock Beijing Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g >97% 0 Out of Stock Beijing Inquiry

1398534-55-8 / tert-butyl N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]carbamate

Standard CAS: 1398534-55-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1398534-55-8
Multi CAS
No
Molecular Formula
C13H17N5O2
Molecular Weight
275.310000
Exact Mass
275.138225
SMILES
CC(C)(C)OC(=O)NCC1=CC(=CC=C1)C2=NNN=N2
InChI
InChI=1S/C13H17N5O2/c1-13(2,3)20-12(19)14-8-9-5-4-6-10(7-9)11-15-17-18-16-11/h4-7H,8H2,1-3H3,(H,14,19)(H,15,16,17,18)
InChIKey
KTUVOGMHFNKUJR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
11
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
72.69
TPSA
92.79

LogP / Solubility

WLOGP
1.89
MLOGP
1.67
XLogP3
1.6
Consensus LogP
1.72
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
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)
-3.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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