RefChem:431012
TL;DR: RefChem:431012 (CAS 606960-72-9) is a chemical compound with molecular formula C22H22N4O3S and molecular weight 422.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzenesulfonyl)-7-butyl-6-imino-11-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Also Known As: 1-Butyl-2-imino-10-methyl-3-(phenylsulfonyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one, 1-butyl-2-imino-10-methyl-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one, 1-BUTYL-2-IMINO-10-METHYL-3-(PHENYLSULFONYL)-1,2-DIHYDRO-5H-DIPYRIDO(1,2-A:2,3-D)PYRIMIDIN-5-ONE, 1-butyl-2-imino-10-methyl-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one, 637-884-8
| Molecular Formula | C22H22N4O3S |
|---|---|
| Molecular Weight | 422.14 g/mol |
| LogP | 3.06999 |
| Topological Polar Surface Area | 97.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.14127 |
| Heavy Atoms | 30 |
| Complexity | 1486.6316 |
Chemical Identifiers
| CAS Number | 606960-72-9 |
|---|---|
| SMILES | CCCCN1C2=C(C=C(C1=N)S(=O)(=O)C3=CC=CC=C3)C(=O)N4C=CC=C(C4=N2)C |
Product Overview
RefChem:431012 (CAS 606960-72-9), with molecular formula C22H22N4O3S and molecular weight 422.14 g/mol. IUPAC: 5-(benzenesulfonyl)-7-butyl-6-imino-11-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one.
Chemical Property Profile of RefChem:431012
Property Insights of RefChem:431012
The XLogP value of 3.06999 indicates that RefChem:431012 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 RefChem:431012. Following Lipinski's Rule of Five, RefChem:431012 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 RefChem:431012?
The CAS number of RefChem:431012 is 606960-72-9.
What is the molecular formula of RefChem:431012?
The molecular formula of RefChem:431012 is C22H22N4O3S.
What is the molecular weight of RefChem:431012?
The molecular weight of RefChem:431012 is 422.14 g/mol.
Where can I buy RefChem:431012?
You can request a quote for RefChem:431012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:431012?
Yes, KEHONG BIO provides custom synthesis services for RefChem:431012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.