1-(4-bromophenyl)-3-({2-nitrophenyl}sulfanyl)-2,5-dimethyl-1H-pyrrole
TL;DR: 1-(4-bromophenyl)-3-({2-nitrophenyl}sulfanyl)-2,5-dimethyl-1H-pyrrole (CAS 307340-39-2) is a chemical compound with molecular formula C18H15BrN2O2S and molecular weight 402.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2,5-dimethyl-3-(2-nitrophenyl)sulfanylpyrrole
Also Known As: 1-(4-bromophenyl)-3-({2-nitrophenyl}sulfanyl)-2,5-dimethyl-1H-pyrrole, 1-(4-bromophenyl)-2,5-dimethyl-3-(2-nitrophenyl)sulfanylpyrrole
| Molecular Formula | C18H15BrN2O2S |
|---|---|
| Molecular Weight | 402.00 g/mol |
| LogP | 5.91604 |
| Topological Polar Surface Area | 48.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.00375 |
| Heavy Atoms | 24 |
| Complexity | 903.88226 |
Chemical Identifiers
| CAS Number | 307340-39-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)SC3=CC=CC=C3[N+](=O)[O-] |
Product Overview
1-(4-bromophenyl)-3-({2-nitrophenyl}sulfanyl)-2,5-dimethyl-1H-pyrrole (CAS 307340-39-2), with molecular formula C18H15BrN2O2S and molecular weight 402.00 g/mol. IUPAC: 1-(4-bromophenyl)-2,5-dimethyl-3-(2-nitrophenyl)sulfanylpyrrole.
Chemical Property Profile of 1-(4-bromophenyl)-3-({2-nitrophenyl}sulfanyl)-2,5-dimethyl-1H-pyrrole
Property Insights of 1-(4-bromophenyl)-3-({2-nitrophenyl}sulfanyl)-2,5-dimethyl-1H-pyrrole
The XLogP value of 5.91604 indicates that 1-(4-bromophenyl)-3-({2-nitrophenyl}sulfanyl)-2,5-dimethyl-1H-pyrrole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.07 Ų, 1-(4-bromophenyl)-3-({2-nitrophenyl}sulfanyl)-2,5-dimethyl-1H-pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-bromophenyl)-3-({2-nitrophenyl}sulfanyl)-2,5-dimethyl-1H-pyrrole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-bromophenyl)-3-({2-nitrophenyl}sulfanyl)-2,5-dimethyl-1H-pyrrole?
The CAS number of 1-(4-bromophenyl)-3-({2-nitrophenyl}sulfanyl)-2,5-dimethyl-1H-pyrrole is 307340-39-2.
What is the molecular formula of 1-(4-bromophenyl)-3-({2-nitrophenyl}sulfanyl)-2,5-dimethyl-1H-pyrrole?
The molecular formula of 1-(4-bromophenyl)-3-({2-nitrophenyl}sulfanyl)-2,5-dimethyl-1H-pyrrole is C18H15BrN2O2S.
What is the molecular weight of 1-(4-bromophenyl)-3-({2-nitrophenyl}sulfanyl)-2,5-dimethyl-1H-pyrrole?
The molecular weight of 1-(4-bromophenyl)-3-({2-nitrophenyl}sulfanyl)-2,5-dimethyl-1H-pyrrole is 402.00 g/mol.
Where can I buy 1-(4-bromophenyl)-3-({2-nitrophenyl}sulfanyl)-2,5-dimethyl-1H-pyrrole?
You can request a quote for 1-(4-bromophenyl)-3-({2-nitrophenyl}sulfanyl)-2,5-dimethyl-1H-pyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-bromophenyl)-3-({2-nitrophenyl}sulfanyl)-2,5-dimethyl-1H-pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-bromophenyl)-3-({2-nitrophenyl}sulfanyl)-2,5-dimethyl-1H-pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.