BAS 12457953
TL;DR: BAS 12457953 (CAS 840478-87-7) is a chemical compound with molecular formula C17H16N6OS and molecular weight 352.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(11-thia-9,14,16,17,19-pentazapentacyclo[10.7.0.02,10.03,7.013,17]nonadeca-1(12),2(10),3(7),8,13,15,18-heptaen-8-yl)morpholine
Also Known As: BAS 12457953, 10-(morpholin-4-yl)-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine, 4-(8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-10-yl)morpholine
| Molecular Formula | C17H16N6OS |
|---|---|
| Molecular Weight | 352.11 g/mol |
| LogP | 2.2125 |
| Topological Polar Surface Area | 68.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 352.11063 |
| Heavy Atoms | 25 |
| Complexity | 1126.7294 |
Chemical Identifiers
| CAS Number | 840478-87-7 |
|---|---|
| SMILES | C1CC2=C(C1)C(=NC3=C2C4=C(S3)C5=NC=NN5C=N4)N6CCOCC6 |
Product Overview
BAS 12457953 (CAS 840478-87-7), with molecular formula C17H16N6OS and molecular weight 352.11 g/mol. IUPAC: 4-(11-thia-9,14,16,17,19-pentazapentacyclo[10.7.0.02,10.03,7.013,17]nonadeca-1(12),2(10),3(7),8,13,15,18-heptaen-8-yl)morpholine.
Chemical Property Profile of BAS 12457953
Property Insights of BAS 12457953
The XLogP value of 2.2125 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12457953. The TPSA of 68.44 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12457953. Following Lipinski's Rule of Five, BAS 12457953 has 0 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 12457953?
The CAS number of BAS 12457953 is 840478-87-7.
What is the molecular formula of BAS 12457953?
The molecular formula of BAS 12457953 is C17H16N6OS.
What is the molecular weight of BAS 12457953?
The molecular weight of BAS 12457953 is 352.11 g/mol.
Where can I buy BAS 12457953?
You can request a quote for BAS 12457953 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12457953?
Yes, KEHONG BIO provides custom synthesis services for BAS 12457953 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.