tert-Butyl hydrogen ((4-formylphenyl)methyl)carbonimidate
TL;DR: tert-Butyl hydrogen ((4-formylphenyl)methyl)carbonimidate (CAS 780821-17-2) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(4-formylphenyl)methyl]carbamate
Also Known As: tert-butyl 4-formylbenzylcarbamate, tert-Butyl N-(4-formylbenzyl)carbamate, tert-butyl N-[(4-formylphenyl)methyl]carbamate, 4-(aminomethyl)benzaldehyde, 4-(Boc-aminomethyl)benzaldehyde
| Molecular Formula | C13H17NO3 |
|---|---|
| Molecular Weight | 235.12 g/mol |
| LogP | 2.5238 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.12085 |
| Heavy Atoms | 17 |
| Complexity | 390.12076 |
Chemical Identifiers
| CAS Number | 780821-17-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C=O |
Product Overview
tert-Butyl hydrogen ((4-formylphenyl)methyl)carbonimidate (CAS 780821-17-2), with molecular formula C13H17NO3 and molecular weight 235.12 g/mol. IUPAC: tert-butyl N-[(4-formylphenyl)methyl]carbamate.
Chemical Property Profile of tert-Butyl hydrogen ((4-formylphenyl)methyl)carbonimidate
Property Insights of tert-Butyl hydrogen ((4-formylphenyl)methyl)carbonimidate
The XLogP value of 2.5238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl hydrogen ((4-formylphenyl)methyl)carbonimidate. With a topological polar surface area (TPSA) of 55.4 Ų, tert-Butyl hydrogen ((4-formylphenyl)methyl)carbonimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl hydrogen ((4-formylphenyl)methyl)carbonimidate has 1 hydrogen bond donor(s) and 3 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 tert-Butyl hydrogen ((4-formylphenyl)methyl)carbonimidate?
The CAS number of tert-Butyl hydrogen ((4-formylphenyl)methyl)carbonimidate is 780821-17-2.
What is the molecular formula of tert-Butyl hydrogen ((4-formylphenyl)methyl)carbonimidate?
The molecular formula of tert-Butyl hydrogen ((4-formylphenyl)methyl)carbonimidate is C13H17NO3.
What is the molecular weight of tert-Butyl hydrogen ((4-formylphenyl)methyl)carbonimidate?
The molecular weight of tert-Butyl hydrogen ((4-formylphenyl)methyl)carbonimidate is 235.12 g/mol.
Where can I buy tert-Butyl hydrogen ((4-formylphenyl)methyl)carbonimidate?
You can request a quote for tert-Butyl hydrogen ((4-formylphenyl)methyl)carbonimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl hydrogen ((4-formylphenyl)methyl)carbonimidate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl hydrogen ((4-formylphenyl)methyl)carbonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.