RefChem:423761
TL;DR: RefChem:423761 (CAS 606961-73-3) is a chemical compound with molecular formula C22H22N4O4S and molecular weight 438.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzenesulfonyl)-7-(3-ethoxypropyl)-6-imino-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Also Known As: BAS 06260710, 1-(3-Ethoxypropyl)-2-imino-3-(phenylsulfonyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one, 1-(3-ethoxypropyl)-2-imino-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one, 1-(3-Ethoxypropyl)-2-imino-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido(1,2-A:2,3-D)pyrimidin-5-one, 1-(3-ethoxypropyl)-2-imino-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
| Molecular Formula | C22H22N4O4S |
|---|---|
| Molecular Weight | 438.14 g/mol |
| LogP | 2.38807 |
| Topological Polar Surface Area | 106.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 438.13617 |
| Heavy Atoms | 31 |
| Complexity | 1474.9447 |
Chemical Identifiers
| CAS Number | 606961-73-3 |
|---|---|
| SMILES | CCOCCCN1C2=C(C=C(C1=N)S(=O)(=O)C3=CC=CC=C3)C(=O)N4C=CC=CC4=N2 |
Product Overview
RefChem:423761 (CAS 606961-73-3), with molecular formula C22H22N4O4S and molecular weight 438.14 g/mol. IUPAC: 5-(benzenesulfonyl)-7-(3-ethoxypropyl)-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 RefChem:423761
Property Insights of RefChem:423761
The XLogP value of 2.38807 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:423761. The TPSA of 106.52 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:423761. Following Lipinski's Rule of Five, RefChem:423761 has 1 hydrogen bond donor(s) and 6 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 RefChem:423761?
The CAS number of RefChem:423761 is 606961-73-3.
What is the molecular formula of RefChem:423761?
The molecular formula of RefChem:423761 is C22H22N4O4S.
What is the molecular weight of RefChem:423761?
The molecular weight of RefChem:423761 is 438.14 g/mol.
Where can I buy RefChem:423761?
You can request a quote for RefChem:423761 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:423761?
Yes, KEHONG BIO provides custom synthesis services for RefChem:423761 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.