![4-[[6-氨基-1-(2-巯基乙基)-6-氧代己基]硫基]-4-氧代丁酸 structure](/static/products/6804/68041-51-0.webp)
4-[[6-氨基-1-(2-巯基乙基)-6-氧代己基]硫基]-4-氧代丁酸
TL;DR: 4-[[6-氨基-1-(2-巯基乙基)-6-氧代己基]硫基]-4-氧代丁酸 (CAS 68041-51-0) is a chemical compound with molecular formula C12H21NO4S2 and molecular weight 307.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[6-氨基-1-(2-巯基乙基)-6-氧代己基]硫基]-4-氧代丁酸
4-(8-amino-8-oxo-1-sulfanyloctan-3-yl)sulfanyl-4-oxobutanoic acid
Also Known As: Butanoic acid, 4-[[6-amino-1-(2-mercaptoethyl)-6-oxohexyl]thio]-4-oxo-, 4-(8-amino-8-oxo-1-sulfanyloctan-3-yl)sulfanyl-4-oxobutanoic acid, 4-[(8-Amino-8-oxo-1-sulfanyloctan-3-yl)sulfanyl]-4-oxobutanoic acid
| Molecular Formula | C12H21NO4S2 |
|---|---|
| Molecular Weight | 307.09 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 307.0912 |
| Heavy Atoms | 19 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 68041-51-0 |
|---|---|
| SMILES | C(CCC(=O)N)CC(CCS)SC(=O)CCC(=O)O |
| InChIKey | RJCJWONCSKSHES-UHFFFAOYSA-N |
Product Overview
4-[[6-氨基-1-(2-巯基乙基)-6-氧代己基]硫基]-4-氧代丁酸 (CAS 68041-51-0), with molecular formula C12H21NO4S2 and molecular weight 307.09 g/mol. IUPAC: 4-(8-amino-8-oxo-1-sulfanyloctan-3-yl)sulfanyl-4-oxobutanoic acid.
Chemical Property Profile of 4-[[6-氨基-1-(2-巯基乙基)-6-氧代己基]硫基]-4-氧代丁酸
Property Insights of 4-[[6-氨基-1-(2-巯基乙基)-6-氧代己基]硫基]-4-氧代丁酸
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[6-氨基-1-(2-巯基乙基)-6-氧代己基]硫基]-4-氧代丁酸. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[6-氨基-1-(2-巯基乙基)-6-氧代己基]硫基]-4-氧代丁酸. Following Lipinski's Rule of Five, 4-[[6-氨基-1-(2-巯基乙基)-6-氧代己基]硫基]-4-氧代丁酸 has 3 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 4-[[6-氨基-1-(2-巯基乙基)-6-氧代己基]硫基]-4-氧代丁酸?
The CAS number of 4-[[6-氨基-1-(2-巯基乙基)-6-氧代己基]硫基]-4-氧代丁酸 is 68041-51-0.
What is the molecular formula of 4-[[6-氨基-1-(2-巯基乙基)-6-氧代己基]硫基]-4-氧代丁酸?
The molecular formula of 4-[[6-氨基-1-(2-巯基乙基)-6-氧代己基]硫基]-4-氧代丁酸 is C12H21NO4S2.
What is the molecular weight of 4-[[6-氨基-1-(2-巯基乙基)-6-氧代己基]硫基]-4-氧代丁酸?
The molecular weight of 4-[[6-氨基-1-(2-巯基乙基)-6-氧代己基]硫基]-4-氧代丁酸 is 307.09 g/mol.
Where can I buy 4-[[6-氨基-1-(2-巯基乙基)-6-氧代己基]硫基]-4-氧代丁酸?
You can request a quote for 4-[[6-氨基-1-(2-巯基乙基)-6-氧代己基]硫基]-4-氧代丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[6-氨基-1-(2-巯基乙基)-6-氧代己基]硫基]-4-氧代丁酸?
Yes, KEHONG BIO provides custom synthesis services for 4-[[6-氨基-1-(2-巯基乙基)-6-氧代己基]硫基]-4-氧代丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.