![METHYL 3-[6-(2-METHOXYCARBONYLETHYLSULFANYLCARBONYLAMINO)HEXYLCARBAMOYLSULFANYL]PROPANOATE structure](/static/products/7861/78614-28-5.webp)
METHYL 3-[6-(2-METHOXYCARBONYLETHYLSULFANYLCARBONYLAMINO)HEXYLCARBAMOYLSULFANYL]PROPANOATE
TL;DR: METHYL 3-[6-(2-METHOXYCARBONYLETHYLSULFANYLCARBONYLAMINO)HEXYLCARBAMOYLSULFANYL]PROPANOATE (CAS 78614-28-5) is a chemical compound with molecular formula C16H28N2O6S2 and molecular weight 408.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[6-[(3-methoxy-3-oxopropyl)sulfanylcarbonylamino]hexylcarbamoylsulfanyl]propanoate
Also Known As: METHYL 3-[6-(2-METHOXYCARBONYLETHYLSULFANYLCARBONYLAMINO)HEXYLCARBAMOYLSULFANYL]PROPANOATE, methyl 3-[6-[(3-methoxy-3-oxopropyl)sulfanylcarbonylamino]he, Dimethyl 5,14-dioxo-4,15-dithia-6,13-diazaoctadecane-1,18-dioate, methyl 3-[6-[(3-methoxy-3-oxopropyl)sulfanylcarbonylamino]hexylcarbamoylsulfanyl]propanoate
| Molecular Formula | C16H28N2O6S2 |
|---|---|
| Molecular Weight | 408.14 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 17 |
| Exact Mass | 408.1389 |
| Heavy Atoms | 26 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 78614-28-5 |
|---|---|
| SMILES | COC(=O)CCSC(=O)NCCCCCCNC(=O)SCCC(=O)OC |
| InChIKey | LLDPDMSYVNIBJK-UHFFFAOYSA-N |
Product Overview
METHYL 3-[6-(2-METHOXYCARBONYLETHYLSULFANYLCARBONYLAMINO)HEXYLCARBAMOYLSULFANYL]PROPANOATE (CAS 78614-28-5), with molecular formula C16H28N2O6S2 and molecular weight 408.14 g/mol. IUPAC: methyl 3-[6-[(3-methoxy-3-oxopropyl)sulfanylcarbonylamino]hexylcarbamoylsulfanyl]propanoate.
Chemical Property Profile of METHYL 3-[6-(2-METHOXYCARBONYLETHYLSULFANYLCARBONYLAMINO)HEXYLCARBAMOYLSULFANYL]PROPANOATE
Property Insights of METHYL 3-[6-(2-METHOXYCARBONYLETHYLSULFANYLCARBONYLAMINO)HEXYLCARBAMOYLSULFANYL]PROPANOATE
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for METHYL 3-[6-(2-METHOXYCARBONYLETHYLSULFANYLCARBONYLAMINO)HEXYLCARBAMOYLSULFANYL]PROPANOATE. The TPSA of 161.0 Ų indicates high polarity, suggesting METHYL 3-[6-(2-METHOXYCARBONYLETHYLSULFANYLCARBONYLAMINO)HEXYLCARBAMOYLSULFANYL]PROPANOATE may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, METHYL 3-[6-(2-METHOXYCARBONYLETHYLSULFANYLCARBONYLAMINO)HEXYLCARBAMOYLSULFANYL]PROPANOATE has 2 hydrogen bond donor(s) and 8 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-[6-(2-METHOXYCARBONYLETHYLSULFANYLCARBONYLAMINO)HEXYLCARBAMOYLSULFANYL]PROPANOATE?
The CAS number of METHYL 3-[6-(2-METHOXYCARBONYLETHYLSULFANYLCARBONYLAMINO)HEXYLCARBAMOYLSULFANYL]PROPANOATE is 78614-28-5.
What is the molecular formula of METHYL 3-[6-(2-METHOXYCARBONYLETHYLSULFANYLCARBONYLAMINO)HEXYLCARBAMOYLSULFANYL]PROPANOATE?
The molecular formula of METHYL 3-[6-(2-METHOXYCARBONYLETHYLSULFANYLCARBONYLAMINO)HEXYLCARBAMOYLSULFANYL]PROPANOATE is C16H28N2O6S2.
What is the molecular weight of METHYL 3-[6-(2-METHOXYCARBONYLETHYLSULFANYLCARBONYLAMINO)HEXYLCARBAMOYLSULFANYL]PROPANOATE?
The molecular weight of METHYL 3-[6-(2-METHOXYCARBONYLETHYLSULFANYLCARBONYLAMINO)HEXYLCARBAMOYLSULFANYL]PROPANOATE is 408.14 g/mol.
Where can I buy METHYL 3-[6-(2-METHOXYCARBONYLETHYLSULFANYLCARBONYLAMINO)HEXYLCARBAMOYLSULFANYL]PROPANOATE?
You can request a quote for METHYL 3-[6-(2-METHOXYCARBONYLETHYLSULFANYLCARBONYLAMINO)HEXYLCARBAMOYLSULFANYL]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-[6-(2-METHOXYCARBONYLETHYLSULFANYLCARBONYLAMINO)HEXYLCARBAMOYLSULFANYL]PROPANOATE?
Yes, KEHONG BIO provides custom synthesis services for METHYL 3-[6-(2-METHOXYCARBONYLETHYLSULFANYLCARBONYLAMINO)HEXYLCARBAMOYLSULFANYL]PROPANOATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.