![4-bromobenzyl N-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]carbamate structure](/static/products/6729/672950-52-6.webp)
4-bromobenzyl N-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]carbamate
TL;DR: 4-bromobenzyl N-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]carbamate (CAS 672950-52-6) is a chemical compound with molecular formula C21H18BrN3O2S and molecular weight 455.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl)methyl N-(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)carbamate
Also Known As: 4-bromobenzyl N-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]carbamate, 5R-1189, (4-bromophenyl)methyl N-(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)carbamate, (4-bromophenyl)methyl N-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]carbamate, (4-bromophenyl)methylN-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]carbamate
| Molecular Formula | C21H18BrN3O2S |
|---|---|
| Molecular Weight | 455.03 g/mol |
| LogP | 6.21504 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.0303 |
| Heavy Atoms | 28 |
| Complexity | 1134.8898 |
Chemical Identifiers
| CAS Number | 672950-52-6 |
|---|---|
| SMILES | CC1=CC(=NC2=C1C(=C(S2)NC(=O)OCC3=CC=C(C=C3)Br)N4C=CC=C4)C |
Product Overview
4-bromobenzyl N-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]carbamate (CAS 672950-52-6), with molecular formula C21H18BrN3O2S and molecular weight 455.03 g/mol. IUPAC: (4-bromophenyl)methyl N-(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)carbamate.
Chemical Property Profile of 4-bromobenzyl N-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]carbamate
Property Insights of 4-bromobenzyl N-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]carbamate
The XLogP value of 6.21504 indicates that 4-bromobenzyl N-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.15 Ų, 4-bromobenzyl N-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromobenzyl N-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]carbamate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-bromobenzyl N-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]carbamate?
The CAS number of 4-bromobenzyl N-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]carbamate is 672950-52-6.
What is the molecular formula of 4-bromobenzyl N-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]carbamate?
The molecular formula of 4-bromobenzyl N-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]carbamate is C21H18BrN3O2S.
What is the molecular weight of 4-bromobenzyl N-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]carbamate?
The molecular weight of 4-bromobenzyl N-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]carbamate is 455.03 g/mol.
Where can I buy 4-bromobenzyl N-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]carbamate?
You can request a quote for 4-bromobenzyl N-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromobenzyl N-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for 4-bromobenzyl N-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.