BAS 12411433
TL;DR: BAS 12411433 (CAS 845804-35-5) is a chemical compound with molecular formula C21H28N4O2S and molecular weight 400.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-[2-(dimethylamino)ethyl]-5,5-dimethyl-13-propyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12-pentaen-15-one
Also Known As: BAS 12411433, 3-(2-(dimethylamino)ethyl)-8,8-dimethyl-2-propyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one, 3-[2-(dimethylamino)ethyl]-8,8-dimethyl-2-propyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
| Molecular Formula | C21H28N4O2S |
|---|---|
| Molecular Weight | 400.19 g/mol |
| LogP | 3.3716 |
| Topological Polar Surface Area | 60.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.1933 |
| Heavy Atoms | 28 |
| Complexity | 1097.4033 |
Chemical Identifiers
| CAS Number | 845804-35-5 |
|---|---|
| SMILES | CCCC1=NC2=C(C(=O)N1CCN(C)C)SC3=C2C=C4COC(CC4=N3)(C)C |
Product Overview
BAS 12411433 (CAS 845804-35-5), with molecular formula C21H28N4O2S and molecular weight 400.19 g/mol. IUPAC: 14-[2-(dimethylamino)ethyl]-5,5-dimethyl-13-propyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12-pentaen-15-one.
Chemical Property Profile of BAS 12411433
Property Insights of BAS 12411433
The XLogP value of 3.3716 indicates that BAS 12411433 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.25 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12411433. Following Lipinski's Rule of Five, BAS 12411433 has 0 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 12411433?
The CAS number of BAS 12411433 is 845804-35-5.
What is the molecular formula of BAS 12411433?
The molecular formula of BAS 12411433 is C21H28N4O2S.
What is the molecular weight of BAS 12411433?
The molecular weight of BAS 12411433 is 400.19 g/mol.
Where can I buy BAS 12411433?
You can request a quote for BAS 12411433 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12411433?
Yes, KEHONG BIO provides custom synthesis services for BAS 12411433 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.