BAS 04360112
TL;DR: BAS 04360112 (CAS 496025-83-3) is a chemical compound with molecular formula C18H17N3OS2 and molecular weight 355.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide
Also Known As: BAS 04360112, AF-399/40923398, N-benzyl-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}acetamide, N-benzyl-2-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide
| Molecular Formula | C18H17N3OS2 |
|---|---|
| Molecular Weight | 355.08 g/mol |
| LogP | 3.5885 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.0813 |
| Heavy Atoms | 24 |
| Complexity | 876.6062 |
Chemical Identifiers
| CAS Number | 496025-83-3 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)NCC4=CC=CC=C4 |
Product Overview
BAS 04360112 (CAS 496025-83-3), with molecular formula C18H17N3OS2 and molecular weight 355.08 g/mol. IUPAC: N-benzyl-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide.
Chemical Property Profile of BAS 04360112
Property Insights of BAS 04360112
The XLogP value of 3.5885 indicates that BAS 04360112 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, BAS 04360112 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 04360112 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 BAS 04360112?
The CAS number of BAS 04360112 is 496025-83-3.
What is the molecular formula of BAS 04360112?
The molecular formula of BAS 04360112 is C18H17N3OS2.
What is the molecular weight of BAS 04360112?
The molecular weight of BAS 04360112 is 355.08 g/mol.
Where can I buy BAS 04360112?
You can request a quote for BAS 04360112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04360112?
Yes, KEHONG BIO provides custom synthesis services for BAS 04360112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.