1,5-Dimethyl (2S)-2-isothiocyanatopentanedioate
TL;DR: 1,5-Dimethyl (2S)-2-isothiocyanatopentanedioate (CAS 21055-50-5) is a chemical compound with molecular formula C8H11NO4S and molecular weight 217.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (2S)-2-isothiocyanatopentanedioate
Also Known As: dimethyl (2S)-2-isothiocyanatopentanedioate, 1,5-DIMETHYL (2S)-2-ISOTHIOCYANATOPENTANEDIOATE
| Molecular Formula | C8H11NO4S |
|---|---|
| Molecular Weight | 217.04 g/mol |
| LogP | 0.584 |
| Topological Polar Surface Area | 64.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 217.04088 |
| Heavy Atoms | 14 |
| Complexity | 260.0669 |
Chemical Identifiers
| CAS Number | 21055-50-5 |
|---|---|
| SMILES | COC(=O)CC[C@@H](C(=O)OC)N=C=S |
Product Overview
1,5-Dimethyl (2S)-2-isothiocyanatopentanedioate (CAS 21055-50-5), with molecular formula C8H11NO4S and molecular weight 217.04 g/mol. IUPAC: dimethyl (2S)-2-isothiocyanatopentanedioate.
Chemical Property Profile of 1,5-Dimethyl (2S)-2-isothiocyanatopentanedioate
Property Insights of 1,5-Dimethyl (2S)-2-isothiocyanatopentanedioate
The XLogP value of 0.584 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Dimethyl (2S)-2-isothiocyanatopentanedioate. The TPSA of 64.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,5-Dimethyl (2S)-2-isothiocyanatopentanedioate. Following Lipinski's Rule of Five, 1,5-Dimethyl (2S)-2-isothiocyanatopentanedioate has 0 hydrogen bond donor(s) and 6 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 1,5-Dimethyl (2S)-2-isothiocyanatopentanedioate?
The CAS number of 1,5-Dimethyl (2S)-2-isothiocyanatopentanedioate is 21055-50-5.
What is the molecular formula of 1,5-Dimethyl (2S)-2-isothiocyanatopentanedioate?
The molecular formula of 1,5-Dimethyl (2S)-2-isothiocyanatopentanedioate is C8H11NO4S.
What is the molecular weight of 1,5-Dimethyl (2S)-2-isothiocyanatopentanedioate?
The molecular weight of 1,5-Dimethyl (2S)-2-isothiocyanatopentanedioate is 217.04 g/mol.
Where can I buy 1,5-Dimethyl (2S)-2-isothiocyanatopentanedioate?
You can request a quote for 1,5-Dimethyl (2S)-2-isothiocyanatopentanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Dimethyl (2S)-2-isothiocyanatopentanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Dimethyl (2S)-2-isothiocyanatopentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.