BAS 12457958
TL;DR: BAS 12457958 (CAS 573932-67-9) is a chemical compound with molecular formula C21H28N6O3S and molecular weight 444.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methoxypropyl)-4,4-dimethyl-8-morpholin-4-yl-5-oxa-11-thia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
Also Known As: BAS 12457958, AO-022/43454607, N-(3-methoxypropyl)-2,2-dimethyl-5-morpholino-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-8-amine, N-(3-Methoxypropyl)-4,4-dimethyl-8-morpholin-4-yl-5-oxa-11-thia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine, N-(3-methoxypropyl)-2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-8-amine
| Molecular Formula | C21H28N6O3S |
|---|---|
| Molecular Weight | 444.19 g/mol |
| LogP | 2.7708 |
| Topological Polar Surface Area | 94.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.19437 |
| Heavy Atoms | 31 |
| Complexity | 1095.8389 |
Chemical Identifiers
| CAS Number | 573932-67-9 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=NC3=C2C4=C(S3)C(=NN=N4)NCCCOC)N5CCOCC5)C |
Product Overview
BAS 12457958 (CAS 573932-67-9), with molecular formula C21H28N6O3S and molecular weight 444.19 g/mol. IUPAC: N-(3-methoxypropyl)-4,4-dimethyl-8-morpholin-4-yl-5-oxa-11-thia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine.
Chemical Property Profile of BAS 12457958
Property Insights of BAS 12457958
The XLogP value of 2.7708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12457958. The TPSA of 94.52 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12457958. Following Lipinski's Rule of Five, BAS 12457958 has 1 hydrogen bond donor(s) and 10 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 12457958?
The CAS number of BAS 12457958 is 573932-67-9.
What is the molecular formula of BAS 12457958?
The molecular formula of BAS 12457958 is C21H28N6O3S.
What is the molecular weight of BAS 12457958?
The molecular weight of BAS 12457958 is 444.19 g/mol.
Where can I buy BAS 12457958?
You can request a quote for BAS 12457958 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12457958?
Yes, KEHONG BIO provides custom synthesis services for BAS 12457958 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.