3-(2-Nitro-5-pyrrolidin-1-ylanilino)propyl methanesulfonate
TL;DR: 3-(2-Nitro-5-pyrrolidin-1-ylanilino)propyl methanesulfonate (CAS 346459-22-1) is a chemical compound with molecular formula C14H21N3O5S and molecular weight 343.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-nitro-5-pyrrolidin-1-ylanilino)propyl methanesulfonate
Also Known As: BAS 02052436, 3-(2-nitro-5-pyrrolidin-1-ylanilino)propyl methanesulfonate, 3-{[2-nitro-5-(pyrrolidin-1-yl)phenyl]amino}propyl methanesulfonate, A2409/0102077, 3-[(2-nitro-5-pyrrolidinylphenyl)amino]propyl methylsulfonate
| Molecular Formula | C14H21N3O5S |
|---|---|
| Molecular Weight | 343.12 g/mol |
| LogP | 1.9732 |
| Topological Polar Surface Area | 101.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 343.12018 |
| Heavy Atoms | 23 |
| Complexity | 656.37665 |
Chemical Identifiers
| CAS Number | 346459-22-1 |
|---|---|
| SMILES | CS(=O)(=O)OCCCNC1=C(C=CC(=C1)N2CCCC2)[N+](=O)[O-] |
Product Overview
3-(2-Nitro-5-pyrrolidin-1-ylanilino)propyl methanesulfonate (CAS 346459-22-1), with molecular formula C14H21N3O5S and molecular weight 343.12 g/mol. IUPAC: 3-(2-nitro-5-pyrrolidin-1-ylanilino)propyl methanesulfonate.
Chemical Property Profile of 3-(2-Nitro-5-pyrrolidin-1-ylanilino)propyl methanesulfonate
Property Insights of 3-(2-Nitro-5-pyrrolidin-1-ylanilino)propyl methanesulfonate
The XLogP value of 1.9732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Nitro-5-pyrrolidin-1-ylanilino)propyl methanesulfonate. The TPSA of 101.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Nitro-5-pyrrolidin-1-ylanilino)propyl methanesulfonate. Following Lipinski's Rule of Five, 3-(2-Nitro-5-pyrrolidin-1-ylanilino)propyl methanesulfonate has 1 hydrogen bond donor(s) and 7 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-(2-Nitro-5-pyrrolidin-1-ylanilino)propyl methanesulfonate?
The CAS number of 3-(2-Nitro-5-pyrrolidin-1-ylanilino)propyl methanesulfonate is 346459-22-1.
What is the molecular formula of 3-(2-Nitro-5-pyrrolidin-1-ylanilino)propyl methanesulfonate?
The molecular formula of 3-(2-Nitro-5-pyrrolidin-1-ylanilino)propyl methanesulfonate is C14H21N3O5S.
What is the molecular weight of 3-(2-Nitro-5-pyrrolidin-1-ylanilino)propyl methanesulfonate?
The molecular weight of 3-(2-Nitro-5-pyrrolidin-1-ylanilino)propyl methanesulfonate is 343.12 g/mol.
Where can I buy 3-(2-Nitro-5-pyrrolidin-1-ylanilino)propyl methanesulfonate?
You can request a quote for 3-(2-Nitro-5-pyrrolidin-1-ylanilino)propyl methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Nitro-5-pyrrolidin-1-ylanilino)propyl methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Nitro-5-pyrrolidin-1-ylanilino)propyl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.