C8-H14-N2-O3-S
TL;DR: C8-H14-N2-O3-S (CAS 54266-86-3) is a chemical compound with molecular formula C8H14N2O3S and molecular weight 218.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-[(2S,5S)-2,5-dimethyl-1,3-oxathiolan-4-ylidene]amino] N-ethylcarbamate
Also Known As: 1,3-Oxathiolan-4-one, 2,5-dimethyl-, O-((ethylamino)carbonyl)oxime, (2alpha,4Z,5alpha)-, 1,3-Oxathiolan-4-one, 2,5-dimethyl-, O-((ethylamino)carbonyl)oxime, (2alpha,4Z,5beta)-
| Molecular Formula | C8H14N2O3S |
|---|---|
| Molecular Weight | 218.07 g/mol |
| LogP | 1.5439 |
| Topological Polar Surface Area | 59.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.07251 |
| Heavy Atoms | 14 |
| Complexity | 244.74089 |
Chemical Identifiers
| CAS Number | 54266-86-3 |
|---|---|
| SMILES | CCNC(=O)O/N=C\1/[C@@H](O[C@@H](S1)C)C |
Product Overview
C8-H14-N2-O3-S (CAS 54266-86-3), with molecular formula C8H14N2O3S and molecular weight 218.07 g/mol. IUPAC: [(Z)-[(2S,5S)-2,5-dimethyl-1,3-oxathiolan-4-ylidene]amino] N-ethylcarbamate.
Chemical Property Profile of C8-H14-N2-O3-S
Property Insights of C8-H14-N2-O3-S
The XLogP value of 1.5439 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C8-H14-N2-O3-S. With a topological polar surface area (TPSA) of 59.92 Ų, C8-H14-N2-O3-S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C8-H14-N2-O3-S has 1 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 C8-H14-N2-O3-S?
The CAS number of C8-H14-N2-O3-S is 54266-86-3.
What is the molecular formula of C8-H14-N2-O3-S?
The molecular formula of C8-H14-N2-O3-S is C8H14N2O3S.
What is the molecular weight of C8-H14-N2-O3-S?
The molecular weight of C8-H14-N2-O3-S is 218.07 g/mol.
Where can I buy C8-H14-N2-O3-S?
You can request a quote for C8-H14-N2-O3-S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C8-H14-N2-O3-S?
Yes, KEHONG BIO provides custom synthesis services for C8-H14-N2-O3-S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.