BAS 12411414
TL;DR: BAS 12411414 (CAS 848733-11-9) is a chemical compound with molecular formula C23H22N4O3S and molecular weight 434.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5,5-dimethyl-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)-N-(3-methylphenyl)acetamide
Also Known As: BAS 12411414, 2-(8,8-dimethyl-4-oxo-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl)-N-(3-methylphenyl)acetamide, 2-(8,8-dimethyl-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)-N-(m-tolyl)acetamide
| Molecular Formula | C23H22N4O3S |
|---|---|
| Molecular Weight | 434.14 g/mol |
| LogP | 3.80462 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 434.14127 |
| Heavy Atoms | 31 |
| Complexity | 1403.4789 |
Chemical Identifiers
| CAS Number | 848733-11-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CN2C=NC3=C(C2=O)SC4=C3C=C5COC(CC5=N4)(C)C |
Product Overview
BAS 12411414 (CAS 848733-11-9), with molecular formula C23H22N4O3S and molecular weight 434.14 g/mol. IUPAC: 2-(5,5-dimethyl-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)-N-(3-methylphenyl)acetamide.
Chemical Property Profile of BAS 12411414
Property Insights of BAS 12411414
The XLogP value of 3.80462 indicates that BAS 12411414 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12411414. Following Lipinski's Rule of Five, BAS 12411414 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 12411414?
The CAS number of BAS 12411414 is 848733-11-9.
What is the molecular formula of BAS 12411414?
The molecular formula of BAS 12411414 is C23H22N4O3S.
What is the molecular weight of BAS 12411414?
The molecular weight of BAS 12411414 is 434.14 g/mol.
Where can I buy BAS 12411414?
You can request a quote for BAS 12411414 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12411414?
Yes, KEHONG BIO provides custom synthesis services for BAS 12411414 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.