![[(3-Chloro-4-nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate structure](/static/products/2381/23815-87-4.webp)
[(3-Chloro-4-nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate
TL;DR: [(3-Chloro-4-nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate (CAS 23815-87-4) is a chemical compound with molecular formula C12H17ClN2O8S2 and molecular weight 416.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-chloro-N-(2-methylsulfonyloxyethyl)-4-nitroanilino]ethyl methanesulfonate
Also Known As: Bradykinin Fragment 1-7, KST-1A3018, [(3-chloro-4-nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate, 2-[3-chloro-N-(2-methylsulfonyloxyethyl)-4-nitroanilino]ethy, 2-[3-chloro-N-(2-methylsulfonyloxyethyl)-4-nitroanilino]ethyl methanesulfonate
| Molecular Formula | C12H17ClN2O8S2 |
|---|---|
| Molecular Weight | 416.01 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 416.01147 |
| Heavy Atoms | 25 |
| Complexity | 599.0 |
Chemical Identifiers
| CAS Number | 23815-87-4 |
|---|---|
| SMILES | CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC(=C(C=C1)[N+](=O)[O-])Cl |
| InChIKey | WTXSEGDBKBAVRJ-UHFFFAOYSA-N |
Product Overview
[(3-Chloro-4-nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate (CAS 23815-87-4), with molecular formula C12H17ClN2O8S2 and molecular weight 416.01 g/mol. IUPAC: 2-[3-chloro-N-(2-methylsulfonyloxyethyl)-4-nitroanilino]ethyl methanesulfonate.
Chemical Property Profile of [(3-Chloro-4-nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate
Property Insights of [(3-Chloro-4-nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(3-Chloro-4-nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate. The TPSA of 153.0 Ų indicates high polarity, suggesting [(3-Chloro-4-nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [(3-Chloro-4-nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate 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 [(3-Chloro-4-nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate?
The CAS number of [(3-Chloro-4-nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate is 23815-87-4.
What is the molecular formula of [(3-Chloro-4-nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate?
The molecular formula of [(3-Chloro-4-nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate is C12H17ClN2O8S2.
What is the molecular weight of [(3-Chloro-4-nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate?
The molecular weight of [(3-Chloro-4-nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate is 416.01 g/mol.
Where can I buy [(3-Chloro-4-nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate?
You can request a quote for [(3-Chloro-4-nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(3-Chloro-4-nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for [(3-Chloro-4-nitrophenyl)imino]diethane-2,1-diyl dimethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.