Methyl 3-(propan-2-ylcarbamoylsulfanyl)propanoate
TL;DR: Methyl 3-(propan-2-ylcarbamoylsulfanyl)propanoate (CAS 78614-30-9) is a chemical compound with molecular formula C8H15NO3S and molecular weight 205.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(propan-2-ylcarbamoylsulfanyl)propanoate
Also Known As: methyl 3-(propan-2-ylcarbamoylsulfanyl)propanoate, Methyl 3-{[(propan-2-yl)carbamoyl]sulfanyl}propanoate
| Molecular Formula | C8H15NO3S |
|---|---|
| Molecular Weight | 205.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 205.07727 |
| Heavy Atoms | 13 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 78614-30-9 |
|---|---|
| SMILES | CC(C)NC(=O)SCCC(=O)OC |
| InChIKey | VWVDBJCHIAXIJM-UHFFFAOYSA-N |
Product Overview
Methyl 3-(propan-2-ylcarbamoylsulfanyl)propanoate (CAS 78614-30-9), with molecular formula C8H15NO3S and molecular weight 205.08 g/mol. IUPAC: methyl 3-(propan-2-ylcarbamoylsulfanyl)propanoate.
Chemical Property Profile of Methyl 3-(propan-2-ylcarbamoylsulfanyl)propanoate
Property Insights of Methyl 3-(propan-2-ylcarbamoylsulfanyl)propanoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(propan-2-ylcarbamoylsulfanyl)propanoate. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(propan-2-ylcarbamoylsulfanyl)propanoate. Following Lipinski's Rule of Five, Methyl 3-(propan-2-ylcarbamoylsulfanyl)propanoate has 1 hydrogen bond donor(s) and 4 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 Methyl 3-(propan-2-ylcarbamoylsulfanyl)propanoate?
The CAS number of Methyl 3-(propan-2-ylcarbamoylsulfanyl)propanoate is 78614-30-9.
What is the molecular formula of Methyl 3-(propan-2-ylcarbamoylsulfanyl)propanoate?
The molecular formula of Methyl 3-(propan-2-ylcarbamoylsulfanyl)propanoate is C8H15NO3S.
What is the molecular weight of Methyl 3-(propan-2-ylcarbamoylsulfanyl)propanoate?
The molecular weight of Methyl 3-(propan-2-ylcarbamoylsulfanyl)propanoate is 205.08 g/mol.
Where can I buy Methyl 3-(propan-2-ylcarbamoylsulfanyl)propanoate?
You can request a quote for Methyl 3-(propan-2-ylcarbamoylsulfanyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(propan-2-ylcarbamoylsulfanyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(propan-2-ylcarbamoylsulfanyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.