BAS 12411421
TL;DR: BAS 12411421 (CAS 843673-06-3) is a chemical compound with molecular formula C22H22N4O4S and molecular weight 438.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(furan-2-ylmethyl)-2-(5,5,13-trimethyl-15-oxo-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12-pentaen-14-yl)acetamide
Also Known As: BAS 12411421, N-(2-furylmethyl)-2-(2,8,8-trimethyl-4-oxo-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl)acetamide, N-(furan-2-ylmethyl)-2-(2,8,8-trimethyl-4-oxo-4,7,8,10-tetrahydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)acetamide, N-(furan-2-ylmethyl)-2-(2,8,8-trimethyl-4-oxo-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl)acetamide
| Molecular Formula | C22H22N4O4S |
|---|---|
| Molecular Weight | 438.14 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.13617 |
| Heavy Atoms | 31 |
| Complexity | 775.0 |
Chemical Identifiers
| CAS Number | 843673-06-3 |
|---|---|
| SMILES | CC1=NC2=C(C(=O)N1CC(=O)NCC3=CC=CO3)SC4=C2C=C5COC(CC5=N4)(C)C |
| InChIKey | WEFPHWQPDUBGEB-UHFFFAOYSA-N |
Product Overview
BAS 12411421 (CAS 843673-06-3), with molecular formula C22H22N4O4S and molecular weight 438.14 g/mol. IUPAC: N-(furan-2-ylmethyl)-2-(5,5,13-trimethyl-15-oxo-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12-pentaen-14-yl)acetamide.
Chemical Property Profile of BAS 12411421
Property Insights of BAS 12411421
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12411421. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12411421. Following Lipinski's Rule of Five, BAS 12411421 has 1 hydrogen bond donor(s) and 7 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 12411421?
The CAS number of BAS 12411421 is 843673-06-3.
What is the molecular formula of BAS 12411421?
The molecular formula of BAS 12411421 is C22H22N4O4S.
What is the molecular weight of BAS 12411421?
The molecular weight of BAS 12411421 is 438.14 g/mol.
Where can I buy BAS 12411421?
You can request a quote for BAS 12411421 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12411421?
Yes, KEHONG BIO provides custom synthesis services for BAS 12411421 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.