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Pentanoicacid, 5,5'-[1,2-ethanediylbis(thio)]bis-(9CI)
TL;DR: Pentanoicacid, 5,5'-[1,2-ethanediylbis(thio)]bis-(9CI) (CAS 55565-68-9) is a chemical compound with molecular formula C12H22O4S2 and molecular weight 294.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(4-carboxybutylsulfanyl)ethylsulfanyl]pentanoic acid
Also Known As: 1,2-Bis-<4-carboxy-butylmercapto>-ethan, 5-[2-(4-carboxybutylsulfanyl)ethylsulfanyl]pentanoic acid, Pentanoicacid, 5,5'-[1,2-ethanediylbis(thio)]bis- (9CI), 5,5'-[Ethane-1,2-diylbis(sulfanediyl)]dipentanoic acid, Pentanoicacid, 5,5'-[1,2-ethanediylbis(thio)]bis-(9CI)
| Molecular Formula | C12H22O4S2 |
|---|---|
| Molecular Weight | 294.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 294.09595 |
| Heavy Atoms | 18 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 55565-68-9 |
|---|---|
| SMILES | C(CCSCCSCCCCC(=O)O)CC(=O)O |
| InChIKey | AWRMBEJEQRJWQK-UHFFFAOYSA-N |
Product Overview
Pentanoicacid, 5,5'-[1,2-ethanediylbis(thio)]bis-(9CI) (CAS 55565-68-9), with molecular formula C12H22O4S2 and molecular weight 294.10 g/mol. IUPAC: 5-[2-(4-carboxybutylsulfanyl)ethylsulfanyl]pentanoic acid.
Chemical Property Profile of Pentanoicacid, 5,5'-[1,2-ethanediylbis(thio)]bis-(9CI)
Property Insights of Pentanoicacid, 5,5'-[1,2-ethanediylbis(thio)]bis-(9CI)
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentanoicacid, 5,5'-[1,2-ethanediylbis(thio)]bis-(9CI). The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentanoicacid, 5,5'-[1,2-ethanediylbis(thio)]bis-(9CI). Following Lipinski's Rule of Five, Pentanoicacid, 5,5'-[1,2-ethanediylbis(thio)]bis-(9CI) has 2 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 Pentanoicacid, 5,5'-[1,2-ethanediylbis(thio)]bis-(9CI)?
The CAS number of Pentanoicacid, 5,5'-[1,2-ethanediylbis(thio)]bis-(9CI) is 55565-68-9.
What is the molecular formula of Pentanoicacid, 5,5'-[1,2-ethanediylbis(thio)]bis-(9CI)?
The molecular formula of Pentanoicacid, 5,5'-[1,2-ethanediylbis(thio)]bis-(9CI) is C12H22O4S2.
What is the molecular weight of Pentanoicacid, 5,5'-[1,2-ethanediylbis(thio)]bis-(9CI)?
The molecular weight of Pentanoicacid, 5,5'-[1,2-ethanediylbis(thio)]bis-(9CI) is 294.10 g/mol.
Where can I buy Pentanoicacid, 5,5'-[1,2-ethanediylbis(thio)]bis-(9CI)?
You can request a quote for Pentanoicacid, 5,5'-[1,2-ethanediylbis(thio)]bis-(9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanoicacid, 5,5'-[1,2-ethanediylbis(thio)]bis-(9CI)?
Yes, KEHONG BIO provides custom synthesis services for Pentanoicacid, 5,5'-[1,2-ethanediylbis(thio)]bis-(9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.