C9-H14-N2-O3-S
TL;DR: C9-H14-N2-O3-S (CAS 54266-87-4) is a chemical compound with molecular formula C9H14N2O3S and molecular weight 230.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2S)-2,4-dimethyl-1,3-oxathiolan-4-yl]amino] (NE)-N-prop-2-enylidenecarbamate
Also Known As: 1,3-Oxathiolan-4-one, 2,4-dimethyl-, O-((2-propenylamino)carbonyl)oxime, (2alpha,4Z,5alpha)-
| Molecular Formula | C9H14N2O3S |
|---|---|
| Molecular Weight | 230.07 g/mol |
| LogP | 1.71 |
| Topological Polar Surface Area | 59.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.07251 |
| Heavy Atoms | 15 |
| Complexity | 282.53104 |
Chemical Identifiers
| CAS Number | 54266-87-4 |
|---|---|
| SMILES | C[C@H]1OCC(S1)(C)NOC(=O)/N=C/C=C |
Product Overview
C9-H14-N2-O3-S (CAS 54266-87-4), with molecular formula C9H14N2O3S and molecular weight 230.07 g/mol. IUPAC: [[(2S)-2,4-dimethyl-1,3-oxathiolan-4-yl]amino] (NE)-N-prop-2-enylidenecarbamate.
Chemical Property Profile of C9-H14-N2-O3-S
Property Insights of C9-H14-N2-O3-S
The XLogP value of 1.71 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C9-H14-N2-O3-S. With a topological polar surface area (TPSA) of 59.92 Ų, C9-H14-N2-O3-S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C9-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 C9-H14-N2-O3-S?
The CAS number of C9-H14-N2-O3-S is 54266-87-4.
What is the molecular formula of C9-H14-N2-O3-S?
The molecular formula of C9-H14-N2-O3-S is C9H14N2O3S.
What is the molecular weight of C9-H14-N2-O3-S?
The molecular weight of C9-H14-N2-O3-S is 230.07 g/mol.
Where can I buy C9-H14-N2-O3-S?
You can request a quote for C9-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 C9-H14-N2-O3-S?
Yes, KEHONG BIO provides custom synthesis services for C9-H14-N2-O3-S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.