7-(N,N-二乙基硫代氨甲酰硫基)庚酸
TL;DR: 7-(N,N-二乙基硫代氨甲酰硫基)庚酸 (CAS 73806-70-9) is a chemical compound with molecular formula C12H23NO2S2 and molecular weight 277.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(N,N-二乙基硫代氨甲酰硫基)庚酸
7-(diethylcarbamothioylsulfanyl)heptanoic acid
Also Known As: 7-[ thio]heptanoicacid, 7-(N,N-Diethylthiocarbamoylthio)heptanoic acid, 7-(diethylcarbamothioylsulfanyl)heptanoic acid, HEPTANOIC ACID, 7-(N,N-DIETHYLTHIOCARBAMOYLTHIO)-, 7-[(diethylcarbamothioyl)sulfanyl]heptanoic acid
| Molecular Formula | C12H23NO2S2 |
|---|---|
| Molecular Weight | 277.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 97.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 277.11703 |
| Heavy Atoms | 17 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 73806-70-9 |
|---|---|
| SMILES | CCN(CC)C(=S)SCCCCCCC(=O)O |
| InChIKey | PPXRYGKVZOEKPA-UHFFFAOYSA-N |
Product Overview
7-(N,N-二乙基硫代氨甲酰硫基)庚酸 (CAS 73806-70-9), with molecular formula C12H23NO2S2 and molecular weight 277.12 g/mol. IUPAC: 7-(diethylcarbamothioylsulfanyl)heptanoic acid.
Chemical Property Profile of 7-(N,N-二乙基硫代氨甲酰硫基)庚酸
Property Insights of 7-(N,N-二乙基硫代氨甲酰硫基)庚酸
The XLogP value of 3.1 indicates that 7-(N,N-二乙基硫代氨甲酰硫基)庚酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(N,N-二乙基硫代氨甲酰硫基)庚酸. Following Lipinski's Rule of Five, 7-(N,N-二乙基硫代氨甲酰硫基)庚酸 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 7-(N,N-二乙基硫代氨甲酰硫基)庚酸?
The CAS number of 7-(N,N-二乙基硫代氨甲酰硫基)庚酸 is 73806-70-9.
What is the molecular formula of 7-(N,N-二乙基硫代氨甲酰硫基)庚酸?
The molecular formula of 7-(N,N-二乙基硫代氨甲酰硫基)庚酸 is C12H23NO2S2.
What is the molecular weight of 7-(N,N-二乙基硫代氨甲酰硫基)庚酸?
The molecular weight of 7-(N,N-二乙基硫代氨甲酰硫基)庚酸 is 277.12 g/mol.
Where can I buy 7-(N,N-二乙基硫代氨甲酰硫基)庚酸?
You can request a quote for 7-(N,N-二乙基硫代氨甲酰硫基)庚酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(N,N-二乙基硫代氨甲酰硫基)庚酸?
Yes, KEHONG BIO provides custom synthesis services for 7-(N,N-二乙基硫代氨甲酰硫基)庚酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.