BAS 04913269
TL;DR: BAS 04913269 (CAS 510724-63-7) is a chemical compound with molecular formula C22H23N3O3S2 and molecular weight 441.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-ethoxyphenyl)-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 04913269, N-(4-ethoxyphenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7-tetrahydrocyclopenta[2,1-d]p yrimidino[4,5-b]thiophen-2-ylthio))acetamide, 2-((3-allyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-ethoxyphenyl)acetamide, N-(4-ethoxyphenyl)-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, N-(4-ethoxyphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
| Molecular Formula | C22H23N3O3S2 |
|---|---|
| Molecular Weight | 441.12 g/mol |
| LogP | 4.2622 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 441.11807 |
| Heavy Atoms | 30 |
| Complexity | 1149.1295 |
Chemical Identifiers
| CAS Number | 510724-63-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2CC=C |
Product Overview
BAS 04913269 (CAS 510724-63-7), with molecular formula C22H23N3O3S2 and molecular weight 441.12 g/mol. IUPAC: N-(4-ethoxyphenyl)-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 04913269
Property Insights of BAS 04913269
The XLogP value of 4.2622 indicates that BAS 04913269 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 04913269. Following Lipinski's Rule of Five, BAS 04913269 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 04913269?
The CAS number of BAS 04913269 is 510724-63-7.
What is the molecular formula of BAS 04913269?
The molecular formula of BAS 04913269 is C22H23N3O3S2.
What is the molecular weight of BAS 04913269?
The molecular weight of BAS 04913269 is 441.12 g/mol.
Where can I buy BAS 04913269?
You can request a quote for BAS 04913269 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04913269?
Yes, KEHONG BIO provides custom synthesis services for BAS 04913269 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.