Bionet1_004558
TL;DR: Bionet1_004558 (CAS 478047-96-0) is a chemical compound with molecular formula C19H16ClN3S2 and molecular weight 385.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-11,13-dimethyl-4-[(4-methylphenyl)methylsulfanyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
Also Known As: Bionet1_004558, 4R-1313, 4-chloro-7,9-dimethyl-2-[(4-methylbenzyl)sulfanyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 6-chloro-11,13-dimethyl-4-{[(4-methylphenyl)methyl]sulfanyl}-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene, 6-chloro-11,13-dimethyl-4-[(4-methylphenyl)methylsulfanyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
| Molecular Formula | C19H16ClN3S2 |
|---|---|
| Molecular Weight | 385.05 g/mol |
| LogP | 6.11046 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.04742 |
| Heavy Atoms | 25 |
| Complexity | 1087.666 |
Chemical Identifiers
| CAS Number | 478047-96-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NC3=C(C(=N2)Cl)SC4=C3C(=CC(=N4)C)C |
Product Overview
Bionet1_004558 (CAS 478047-96-0), with molecular formula C19H16ClN3S2 and molecular weight 385.05 g/mol. IUPAC: 6-chloro-11,13-dimethyl-4-[(4-methylphenyl)methylsulfanyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
Chemical Property Profile of Bionet1_004558
Property Insights of Bionet1_004558
The XLogP value of 6.11046 indicates that Bionet1_004558 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.67 Ų, Bionet1_004558 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_004558 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bionet1_004558?
The CAS number of Bionet1_004558 is 478047-96-0.
What is the molecular formula of Bionet1_004558?
The molecular formula of Bionet1_004558 is C19H16ClN3S2.
What is the molecular weight of Bionet1_004558?
The molecular weight of Bionet1_004558 is 385.05 g/mol.
Where can I buy Bionet1_004558?
You can request a quote for Bionet1_004558 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004558?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004558 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.