Pentyl hydrogen tert-butylcarbonimidate
TL;DR: Pentyl hydrogen tert-butylcarbonimidate (CAS 77306-13-9) is a chemical compound with molecular formula C10H21NO2 and molecular weight 187.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl N-tert-butylcarbamate
Also Known As: pentyl tert-butylcarbamate, pentyltert-butylcarbamate, pentyl N-tert-butylcarbamate, Pentyl hydrogen tert-butylcarbonimidate
| Molecular Formula | C10H21NO2 |
|---|---|
| Molecular Weight | 187.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 187.15723 |
| Heavy Atoms | 13 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 77306-13-9 |
|---|---|
| SMILES | CCCCCOC(=O)NC(C)(C)C |
| InChIKey | RETXQMNESMJJLX-UHFFFAOYSA-N |
Product Overview
Pentyl hydrogen tert-butylcarbonimidate (CAS 77306-13-9), with molecular formula C10H21NO2 and molecular weight 187.16 g/mol. IUPAC: pentyl N-tert-butylcarbamate.
Chemical Property Profile of Pentyl hydrogen tert-butylcarbonimidate
Property Insights of Pentyl hydrogen tert-butylcarbonimidate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentyl hydrogen tert-butylcarbonimidate. With a topological polar surface area (TPSA) of 38.3 Ų, Pentyl hydrogen tert-butylcarbonimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentyl hydrogen tert-butylcarbonimidate has 1 hydrogen bond donor(s) and 2 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 Pentyl hydrogen tert-butylcarbonimidate?
The CAS number of Pentyl hydrogen tert-butylcarbonimidate is 77306-13-9.
What is the molecular formula of Pentyl hydrogen tert-butylcarbonimidate?
The molecular formula of Pentyl hydrogen tert-butylcarbonimidate is C10H21NO2.
What is the molecular weight of Pentyl hydrogen tert-butylcarbonimidate?
The molecular weight of Pentyl hydrogen tert-butylcarbonimidate is 187.16 g/mol.
Where can I buy Pentyl hydrogen tert-butylcarbonimidate?
You can request a quote for Pentyl hydrogen tert-butylcarbonimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl hydrogen tert-butylcarbonimidate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl hydrogen tert-butylcarbonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.