![3-Brosyl-1-cyclopentyl-2-imino-dipyrido[1,2-d:3'',4''-f]pyrimidin-5-one structure](/static/products/587/587012-66-6.png)
3-Brosyl-1-cyclopentyl-2-imino-dipyrido[1,2-d:3'',4''-f]pyrimidin-5-one
TL;DR: 3-Brosyl-1-cyclopentyl-2-imino-dipyrido[1,2-d:3'',4''-f]pyrimidin-5-one (CAS 587012-66-6) is a chemical compound with molecular formula C22H19BrN4O3S and molecular weight 498.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-bromophenyl)sulfonyl-7-cyclopentyl-6-imino-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Also Known As: 3-((4-bromophenyl)sulfonyl)-1-cyclopentyl-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one, 3-[(4-bromophenyl)sulfonyl]-1-cyclopentyl-2-imino-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one, 3-brosyl-1-cyclopentyl-2-imino-dipyrido[1,2-d:3'',4''-f]pyrimidin-5-one, 3-(4-bromophenyl)sulfonyl-1-cyclopentyl-2-imino-5-dipyrido[1,2-d:3'',4''-f]pyrimidinone, 3-(4-bromophenyl)sulfonyl-1-cyclopentyl-2-iminodipyrido[1,2-d:3'',4''-f]pyrimidin-5-one
| Molecular Formula | C22H19BrN4O3S |
|---|---|
| Molecular Weight | 498.04 g/mol |
| LogP | 3.83907 |
| Topological Polar Surface Area | 97.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 498.03613 |
| Heavy Atoms | 31 |
| Complexity | 1550.5336 |
Chemical Identifiers
| CAS Number | 587012-66-6 |
|---|---|
| SMILES | C1CCC(C1)N2C3=C(C=C(C2=N)S(=O)(=O)C4=CC=C(C=C4)Br)C(=O)N5C=CC=CC5=N3 |
Product Overview
3-Brosyl-1-cyclopentyl-2-imino-dipyrido[1,2-d:3'',4''-f]pyrimidin-5-one (CAS 587012-66-6), with molecular formula C22H19BrN4O3S and molecular weight 498.04 g/mol. IUPAC: 5-(4-bromophenyl)sulfonyl-7-cyclopentyl-6-imino-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one.
Chemical Property Profile of 3-Brosyl-1-cyclopentyl-2-imino-dipyrido[1,2-d:3'',4''-f]pyrimidin-5-one
Property Insights of 3-Brosyl-1-cyclopentyl-2-imino-dipyrido[1,2-d:3'',4''-f]pyrimidin-5-one
The XLogP value of 3.83907 indicates that 3-Brosyl-1-cyclopentyl-2-imino-dipyrido[1,2-d:3'',4''-f]pyrimidin-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Brosyl-1-cyclopentyl-2-imino-dipyrido[1,2-d:3'',4''-f]pyrimidin-5-one. Following Lipinski's Rule of Five, 3-Brosyl-1-cyclopentyl-2-imino-dipyrido[1,2-d:3'',4''-f]pyrimidin-5-one has 1 hydrogen bond donor(s) and 5 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-Brosyl-1-cyclopentyl-2-imino-dipyrido[1,2-d:3'',4''-f]pyrimidin-5-one?
The CAS number of 3-Brosyl-1-cyclopentyl-2-imino-dipyrido[1,2-d:3'',4''-f]pyrimidin-5-one is 587012-66-6.
What is the molecular formula of 3-Brosyl-1-cyclopentyl-2-imino-dipyrido[1,2-d:3'',4''-f]pyrimidin-5-one?
The molecular formula of 3-Brosyl-1-cyclopentyl-2-imino-dipyrido[1,2-d:3'',4''-f]pyrimidin-5-one is C22H19BrN4O3S.
What is the molecular weight of 3-Brosyl-1-cyclopentyl-2-imino-dipyrido[1,2-d:3'',4''-f]pyrimidin-5-one?
The molecular weight of 3-Brosyl-1-cyclopentyl-2-imino-dipyrido[1,2-d:3'',4''-f]pyrimidin-5-one is 498.04 g/mol.
Where can I buy 3-Brosyl-1-cyclopentyl-2-imino-dipyrido[1,2-d:3'',4''-f]pyrimidin-5-one?
You can request a quote for 3-Brosyl-1-cyclopentyl-2-imino-dipyrido[1,2-d:3'',4''-f]pyrimidin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Brosyl-1-cyclopentyl-2-imino-dipyrido[1,2-d:3'',4''-f]pyrimidin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Brosyl-1-cyclopentyl-2-imino-dipyrido[1,2-d:3'',4''-f]pyrimidin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.