BAS 12411432
TL;DR: BAS 12411432 (CAS 844857-95-0) is a chemical compound with molecular formula C22H21N3O3S and molecular weight 407.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-[(4-methoxyphenyl)methyl]-5,5-dimethyl-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 12411432, 3-(4-methoxybenzyl)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one, 3-(4-methoxybenzyl)-8,8-dimethyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one
| Molecular Formula | C22H21N3O3S |
|---|---|
| Molecular Weight | 407.13 g/mol |
| LogP | 3.9144 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.13037 |
| Heavy Atoms | 29 |
| Complexity | 1288.8909 |
Chemical Identifiers
| CAS Number | 844857-95-0 |
|---|---|
| SMILES | CC1(CC2=NC3=C(C=C2CO1)C4=C(S3)C(=O)N(C=N4)CC5=CC=C(C=C5)OC)C |
Product Overview
BAS 12411432 (CAS 844857-95-0), with molecular formula C22H21N3O3S and molecular weight 407.13 g/mol. IUPAC: 14-[(4-methoxyphenyl)methyl]-5,5-dimethyl-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 12411432
Property Insights of BAS 12411432
The XLogP value of 3.9144 indicates that BAS 12411432 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.24 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12411432. Following Lipinski's Rule of Five, BAS 12411432 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 12411432?
The CAS number of BAS 12411432 is 844857-95-0.
What is the molecular formula of BAS 12411432?
The molecular formula of BAS 12411432 is C22H21N3O3S.
What is the molecular weight of BAS 12411432?
The molecular weight of BAS 12411432 is 407.13 g/mol.
Where can I buy BAS 12411432?
You can request a quote for BAS 12411432 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12411432?
Yes, KEHONG BIO provides custom synthesis services for BAS 12411432 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.