BAS 04913279
TL;DR: BAS 04913279 (CAS 457952-50-0) is a chemical compound with molecular formula C21H21N3O2S2 and molecular weight 411.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide
Also Known As: BAS 04913279, UPCMLD0ENAT0513-5659:001, N-benzyl-2-{[12-oxo-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}acetamide, 2-(4-oxo-3-prop-2-enyl(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[4,5-b]thi ophen-2-ylthio))-N-benzylacetamide
| Molecular Formula | C21H21N3O2S2 |
|---|---|
| Molecular Weight | 411.11 g/mol |
| LogP | 3.5412 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.1075 |
| Heavy Atoms | 28 |
| Complexity | 1086.464 |
Chemical Identifiers
| CAS Number | 457952-50-0 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)NCC3=CC=CC=C3)SC4=C2CCC4 |
Product Overview
BAS 04913279 (CAS 457952-50-0), with molecular formula C21H21N3O2S2 and molecular weight 411.11 g/mol. IUPAC: N-benzyl-2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 04913279
Property Insights of BAS 04913279
The XLogP value of 3.5412 indicates that BAS 04913279 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04913279. Following Lipinski's Rule of Five, BAS 04913279 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 04913279?
The CAS number of BAS 04913279 is 457952-50-0.
What is the molecular formula of BAS 04913279?
The molecular formula of BAS 04913279 is C21H21N3O2S2.
What is the molecular weight of BAS 04913279?
The molecular weight of BAS 04913279 is 411.11 g/mol.
Where can I buy BAS 04913279?
You can request a quote for BAS 04913279 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04913279?
Yes, KEHONG BIO provides custom synthesis services for BAS 04913279 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.