BAS 04913266
TL;DR: BAS 04913266 (CAS 314260-66-7) is a chemical compound with molecular formula C21H21N3O3S2 and molecular weight 427.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methoxyphenyl)-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 04913266, AF-399/15031026, 2-[(3-allyl-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide, N-(4-methoxyphenyl)-2-[(1-oxo-2-prop-2-enyl-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl)sulfanyl]acetamide, N-(4-Methoxyphenyl)-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
| Molecular Formula | C21H21N3O3S2 |
|---|---|
| Molecular Weight | 427.10 g/mol |
| LogP | 3.8721 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.10245 |
| Heavy Atoms | 29 |
| Complexity | 1132.7642 |
Chemical Identifiers
| CAS Number | 314260-66-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2CC=C |
Product Overview
BAS 04913266 (CAS 314260-66-7), with molecular formula C21H21N3O3S2 and molecular weight 427.10 g/mol. IUPAC: N-(4-methoxyphenyl)-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 04913266
Property Insights of BAS 04913266
The XLogP value of 3.8721 indicates that BAS 04913266 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04913266. Following Lipinski's Rule of Five, BAS 04913266 has 1 hydrogen bond donor(s) and 6 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 04913266?
The CAS number of BAS 04913266 is 314260-66-7.
What is the molecular formula of BAS 04913266?
The molecular formula of BAS 04913266 is C21H21N3O3S2.
What is the molecular weight of BAS 04913266?
The molecular weight of BAS 04913266 is 427.10 g/mol.
Where can I buy BAS 04913266?
You can request a quote for BAS 04913266 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04913266?
Yes, KEHONG BIO provides custom synthesis services for BAS 04913266 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.