RefChem:436551
TL;DR: RefChem:436551 (CAS 607383-14-2) is a chemical compound with molecular formula C21H19ClN4O3S and molecular weight 442.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-butan-2-yl-5-(4-chlorophenyl)sulfonyl-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 06260926, 1-(sec-Butyl)-3-((4-chlorophenyl)sulfonyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one, 1-SEC-BUTYL-3-[(4-CHLOROPHENYL)SULFONYL]-2-IMINO-1,2-DIHYDRO-5H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDIN-5-ONE, 1-(butan-2-yl)-3-[(4-chlorophenyl)sulfonyl]-2-imino-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one, 1-(SEC-BUTYL)-3-[(4-CHLOROPHENYL)SULFONYL]-2-IMINO-1,2-DIHYDRO-5H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDIN-5-ONE
| Molecular Formula | C21H19ClN4O3S |
|---|---|
| Molecular Weight | 442.09 g/mol |
| LogP | 3.58587 |
| Topological Polar Surface Area | 97.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.08664 |
| Heavy Atoms | 30 |
| Complexity | 1506.0956 |
Chemical Identifiers
| CAS Number | 607383-14-2 |
|---|---|
| SMILES | CCC(C)N1C2=C(C=C(C1=N)S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)N4C=CC=CC4=N2 |
Product Overview
RefChem:436551 (CAS 607383-14-2), with molecular formula C21H19ClN4O3S and molecular weight 442.09 g/mol. IUPAC: 7-butan-2-yl-5-(4-chlorophenyl)sulfonyl-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:436551
Property Insights of RefChem:436551
The XLogP value of 3.58587 indicates that RefChem:436551 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:436551. Following Lipinski's Rule of Five, RefChem:436551 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:436551?
The CAS number of RefChem:436551 is 607383-14-2.
What is the molecular formula of RefChem:436551?
The molecular formula of RefChem:436551 is C21H19ClN4O3S.
What is the molecular weight of RefChem:436551?
The molecular weight of RefChem:436551 is 442.09 g/mol.
Where can I buy RefChem:436551?
You can request a quote for RefChem:436551 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:436551?
Yes, KEHONG BIO provides custom synthesis services for RefChem:436551 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.