1-(Azidomethyl)-4-tert-butylbenzene
TL;DR: 1-(Azidomethyl)-4-tert-butylbenzene (CAS 130231-58-2) is a chemical compound with molecular formula C11H15N3 and molecular weight 189.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(azidomethyl)-4-tert-butylbenzene
Also Known As: 4-tert-Butylbenzylazide, 1-(azidomethyl)-4-tert-butylbenzene, 4-tert-Butylbenzyl azide, 4-(tert-butyl)benzyl azide, p-tert-butylbenzazide
| Molecular Formula | C11H15N3 |
|---|---|
| Molecular Weight | 189.13 g/mol |
| LogP | 3.7944 |
| Topological Polar Surface Area | 48.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.1266 |
| Heavy Atoms | 14 |
| Complexity | 339.79056 |
Chemical Identifiers
| CAS Number | 130231-58-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CN=[N+]=[N-] |
Product Overview
1-(Azidomethyl)-4-tert-butylbenzene (CAS 130231-58-2), with molecular formula C11H15N3 and molecular weight 189.13 g/mol. IUPAC: 1-(azidomethyl)-4-tert-butylbenzene.
Chemical Property Profile of 1-(Azidomethyl)-4-tert-butylbenzene
Property Insights of 1-(Azidomethyl)-4-tert-butylbenzene
The XLogP value of 3.7944 indicates that 1-(Azidomethyl)-4-tert-butylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.76 Ų, 1-(Azidomethyl)-4-tert-butylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Azidomethyl)-4-tert-butylbenzene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(Azidomethyl)-4-tert-butylbenzene?
The CAS number of 1-(Azidomethyl)-4-tert-butylbenzene is 130231-58-2.
What is the molecular formula of 1-(Azidomethyl)-4-tert-butylbenzene?
The molecular formula of 1-(Azidomethyl)-4-tert-butylbenzene is C11H15N3.
What is the molecular weight of 1-(Azidomethyl)-4-tert-butylbenzene?
The molecular weight of 1-(Azidomethyl)-4-tert-butylbenzene is 189.13 g/mol.
Where can I buy 1-(Azidomethyl)-4-tert-butylbenzene?
You can request a quote for 1-(Azidomethyl)-4-tert-butylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Azidomethyl)-4-tert-butylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Azidomethyl)-4-tert-butylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.