RefChem:374442
TL;DR: RefChem:374442 (CAS 62052-55-5) is a chemical compound with molecular formula C18H29NO6S2 and molecular weight 419.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[4-[2-(dipropylamino)acetyl]oxy-1,3-dithiolan-2-ylidene]propanedioate
Also Known As: Diethyl (4-(((dipropylamino)acetyl)oxy)-1,3-dithiolan-2-ylidene)propanedioate, Propanedioic acid, (4-(((dipropylamino)acetyl)oxy)-1,3-dithiolan-2-ylidene)-, diethyl ester, Diethyl {4-[(N,N-dipropylglycyl)oxy]-1,3-dithiolan-2-ylidene}propanedioate, diethyl 2-[4-[2-(dipropylamino)acetyl]oxy-1,3-dithiolan-2-ylidene]propanedioate, RefChem:374442
| Molecular Formula | C18H29NO6S2 |
|---|---|
| Molecular Weight | 419.14 g/mol |
| LogP | 2.7955 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 419.14362 |
| Heavy Atoms | 27 |
| Complexity | 525.9699 |
Chemical Identifiers
| CAS Number | 62052-55-5 |
|---|---|
| SMILES | CCCN(CCC)CC(=O)OC1CSC(=C(C(=O)OCC)C(=O)OCC)S1 |
Product Overview
RefChem:374442 (CAS 62052-55-5), with molecular formula C18H29NO6S2 and molecular weight 419.14 g/mol. IUPAC: diethyl 2-[4-[2-(dipropylamino)acetyl]oxy-1,3-dithiolan-2-ylidene]propanedioate.
Chemical Property Profile of RefChem:374442
Property Insights of RefChem:374442
The XLogP value of 2.7955 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:374442. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:374442. Following Lipinski's Rule of Five, RefChem:374442 has 0 hydrogen bond donor(s) and 9 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 RefChem:374442?
The CAS number of RefChem:374442 is 62052-55-5.
What is the molecular formula of RefChem:374442?
The molecular formula of RefChem:374442 is C18H29NO6S2.
What is the molecular weight of RefChem:374442?
The molecular weight of RefChem:374442 is 419.14 g/mol.
Where can I buy RefChem:374442?
You can request a quote for RefChem:374442 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:374442?
Yes, KEHONG BIO provides custom synthesis services for RefChem:374442 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.