BAS 12344394
TL;DR: BAS 12344394 (CAS 796995-47-6) is a chemical compound with molecular formula C22H24N4O2S2 and molecular weight 440.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(dimethylamino)phenyl]-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 12344394, F3277-0347, 2-((3-allyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(dimethylamino)phenyl)acetamide, N-[4-(dimethylamino)phenyl]-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, N-[4-(dimethylamino)phenyl]-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 | C22H24N4O2S2 |
|---|---|
| Molecular Weight | 440.13 g/mol |
| LogP | 3.9295 |
| Topological Polar Surface Area | 67.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 440.13406 |
| Heavy Atoms | 30 |
| Complexity | 1162.5796 |
Chemical Identifiers
| CAS Number | 796995-47-6 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2CC=C |
Product Overview
BAS 12344394 (CAS 796995-47-6), with molecular formula C22H24N4O2S2 and molecular weight 440.13 g/mol. IUPAC: N-[4-(dimethylamino)phenyl]-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 12344394
Property Insights of BAS 12344394
The XLogP value of 3.9295 indicates that BAS 12344394 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.23 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12344394. Following Lipinski's Rule of Five, BAS 12344394 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 12344394?
The CAS number of BAS 12344394 is 796995-47-6.
What is the molecular formula of BAS 12344394?
The molecular formula of BAS 12344394 is C22H24N4O2S2.
What is the molecular weight of BAS 12344394?
The molecular weight of BAS 12344394 is 440.13 g/mol.
Where can I buy BAS 12344394?
You can request a quote for BAS 12344394 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12344394?
Yes, KEHONG BIO provides custom synthesis services for BAS 12344394 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.