![3,6-diamino-2-(4-bromobenzoyl)-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile structure](/static/products/476/476318-91-9.png)
3,6-diamino-2-(4-bromobenzoyl)-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile
TL;DR: 3,6-diamino-2-(4-bromobenzoyl)-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile (CAS 476318-91-9) is a chemical compound with molecular formula C22H15BrN4O2S and molecular weight 478.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-diamino-2-(4-bromobenzoyl)-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile
Also Known As: 3,6-diamino-2-(4-bromobenzoyl)-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile, 3,6-diamino-2-[(4-bromophenyl)carbonyl]-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile
| Molecular Formula | C22H15BrN4O2S |
|---|---|
| Molecular Weight | 478.01 g/mol |
| LogP | 5.00148 |
| Topological Polar Surface Area | 115.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 478.00992 |
| Heavy Atoms | 30 |
| Complexity | 1322.9993 |
Chemical Identifiers
| CAS Number | 476318-91-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(C(=NC3=C2C(=C(S3)C(=O)C4=CC=C(C=C4)Br)N)N)C#N |
Product Overview
3,6-diamino-2-(4-bromobenzoyl)-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile (CAS 476318-91-9), with molecular formula C22H15BrN4O2S and molecular weight 478.01 g/mol. IUPAC: 3,6-diamino-2-(4-bromobenzoyl)-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile.
Chemical Property Profile of 3,6-diamino-2-(4-bromobenzoyl)-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile
Property Insights of 3,6-diamino-2-(4-bromobenzoyl)-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile
The XLogP value of 5.00148 indicates that 3,6-diamino-2-(4-bromobenzoyl)-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6-diamino-2-(4-bromobenzoyl)-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile. Following Lipinski's Rule of Five, 3,6-diamino-2-(4-bromobenzoyl)-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,6-diamino-2-(4-bromobenzoyl)-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile?
The CAS number of 3,6-diamino-2-(4-bromobenzoyl)-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile is 476318-91-9.
What is the molecular formula of 3,6-diamino-2-(4-bromobenzoyl)-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile?
The molecular formula of 3,6-diamino-2-(4-bromobenzoyl)-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile is C22H15BrN4O2S.
What is the molecular weight of 3,6-diamino-2-(4-bromobenzoyl)-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile?
The molecular weight of 3,6-diamino-2-(4-bromobenzoyl)-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile is 478.01 g/mol.
Where can I buy 3,6-diamino-2-(4-bromobenzoyl)-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile?
You can request a quote for 3,6-diamino-2-(4-bromobenzoyl)-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-diamino-2-(4-bromobenzoyl)-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,6-diamino-2-(4-bromobenzoyl)-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.