4-Methylpent-1-yn-3-yl hydrogen carbonimidate
TL;DR: 4-Methylpent-1-yn-3-yl hydrogen carbonimidate (CAS 14056-65-6) is a chemical compound with molecular formula C7H11NO2 and molecular weight 141.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylpent-1-yn-3-yl carbamate
Also Known As: 4-methylpent-1-yn-3-yl carbamate, 1-Pentyn-3-ol, 4-methyl-, carbamate, Carbamic acid, 1-isopropyl-2-propynyl ester, 4-Methylpent-1-yn-3-yl hydrogen carbonimidate, Carbammato di 2-methyl-delta 4,5-pentin-2-olo
| Molecular Formula | C7H11NO2 |
|---|---|
| Molecular Weight | 141.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 141.07898 |
| Heavy Atoms | 10 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 14056-65-6 |
|---|---|
| SMILES | CC(C)C(C#C)OC(=O)N |
| InChIKey | LMIOSZBCJOOCPZ-UHFFFAOYSA-N |
Product Overview
4-Methylpent-1-yn-3-yl hydrogen carbonimidate (CAS 14056-65-6), with molecular formula C7H11NO2 and molecular weight 141.08 g/mol. IUPAC: 4-methylpent-1-yn-3-yl carbamate.
Chemical Property Profile of 4-Methylpent-1-yn-3-yl hydrogen carbonimidate
Property Insights of 4-Methylpent-1-yn-3-yl hydrogen carbonimidate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylpent-1-yn-3-yl hydrogen carbonimidate. With a topological polar surface area (TPSA) of 52.3 Ų, 4-Methylpent-1-yn-3-yl hydrogen carbonimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylpent-1-yn-3-yl hydrogen carbonimidate 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 4-Methylpent-1-yn-3-yl hydrogen carbonimidate?
The CAS number of 4-Methylpent-1-yn-3-yl hydrogen carbonimidate is 14056-65-6.
What is the molecular formula of 4-Methylpent-1-yn-3-yl hydrogen carbonimidate?
The molecular formula of 4-Methylpent-1-yn-3-yl hydrogen carbonimidate is C7H11NO2.
What is the molecular weight of 4-Methylpent-1-yn-3-yl hydrogen carbonimidate?
The molecular weight of 4-Methylpent-1-yn-3-yl hydrogen carbonimidate is 141.08 g/mol.
Where can I buy 4-Methylpent-1-yn-3-yl hydrogen carbonimidate?
You can request a quote for 4-Methylpent-1-yn-3-yl hydrogen carbonimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylpent-1-yn-3-yl hydrogen carbonimidate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylpent-1-yn-3-yl hydrogen carbonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.