BAS 04913296
TL;DR: BAS 04913296 (CAS 379247-67-3) is a chemical compound with molecular formula C22H23N3O2S2 and molecular weight 425.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,5-dimethylphenyl)-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 04913296, AB00721785-01, AF-399/15032059, 2-[(3-allyl-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide, N-(2,5-dimethylphenyl)-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
| Molecular Formula | C22H23N3O2S2 |
|---|---|
| Molecular Weight | 425.12 g/mol |
| LogP | 4.48034 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.12317 |
| Heavy Atoms | 29 |
| Complexity | 1176.9946 |
Chemical Identifiers
| CAS Number | 379247-67-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NC(=O)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2CC=C |
Product Overview
BAS 04913296 (CAS 379247-67-3), with molecular formula C22H23N3O2S2 and molecular weight 425.12 g/mol. IUPAC: N-(2,5-dimethylphenyl)-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 04913296
Property Insights of BAS 04913296
The XLogP value of 4.48034 indicates that BAS 04913296 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 04913296. Following Lipinski's Rule of Five, BAS 04913296 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 04913296?
The CAS number of BAS 04913296 is 379247-67-3.
What is the molecular formula of BAS 04913296?
The molecular formula of BAS 04913296 is C22H23N3O2S2.
What is the molecular weight of BAS 04913296?
The molecular weight of BAS 04913296 is 425.12 g/mol.
Where can I buy BAS 04913296?
You can request a quote for BAS 04913296 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04913296?
Yes, KEHONG BIO provides custom synthesis services for BAS 04913296 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.