Synthanecine A-bis(N-ethylcarbamate)
TL;DR: Synthanecine A-bis(N-ethylcarbamate) (CAS 5469-46-5) is a chemical compound with molecular formula C13H23N3O4 and molecular weight 285.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(ethylcarbamoyloxymethyl)-1-methyl-2,5-dihydropyrrol-2-yl]methyl N-ethylcarbamate
Also Known As: Synthanecine A bis-N-ethylcarbamate, Synthanecine A-bis(N-ethylcarbamate), Carbamic acid, ethyl-, (2,5-dihydro-1-methyl-1H-pyrrole-2,3-diyl)bis(methylene) ester, 5-21-04-00377 (Beilstein Handbook Reference), 3-Pyrroline-2,3-dimethanol, 1-methyl-, bisethylcarbamate
| Molecular Formula | C13H23N3O4 |
|---|---|
| Molecular Weight | 285.17 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 285.16885 |
| Heavy Atoms | 20 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 5469-46-5 |
|---|---|
| SMILES | CCNC(=O)OCC1C(=CCN1C)COC(=O)NCC |
| InChIKey | NZCFZZYGXWNZAO-UHFFFAOYSA-N |
Product Overview
Synthanecine A-bis(N-ethylcarbamate) (CAS 5469-46-5), with molecular formula C13H23N3O4 and molecular weight 285.17 g/mol. IUPAC: [3-(ethylcarbamoyloxymethyl)-1-methyl-2,5-dihydropyrrol-2-yl]methyl N-ethylcarbamate.
Chemical Property Profile of Synthanecine A-bis(N-ethylcarbamate)
Property Insights of Synthanecine A-bis(N-ethylcarbamate)
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Synthanecine A-bis(N-ethylcarbamate). The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Synthanecine A-bis(N-ethylcarbamate). Following Lipinski's Rule of Five, Synthanecine A-bis(N-ethylcarbamate) has 2 hydrogen bond donor(s) and 5 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 Synthanecine A-bis(N-ethylcarbamate)?
The CAS number of Synthanecine A-bis(N-ethylcarbamate) is 5469-46-5.
What is the molecular formula of Synthanecine A-bis(N-ethylcarbamate)?
The molecular formula of Synthanecine A-bis(N-ethylcarbamate) is C13H23N3O4.
What is the molecular weight of Synthanecine A-bis(N-ethylcarbamate)?
The molecular weight of Synthanecine A-bis(N-ethylcarbamate) is 285.17 g/mol.
Where can I buy Synthanecine A-bis(N-ethylcarbamate)?
You can request a quote for Synthanecine A-bis(N-ethylcarbamate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Synthanecine A-bis(N-ethylcarbamate)?
Yes, KEHONG BIO provides custom synthesis services for Synthanecine A-bis(N-ethylcarbamate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.