BAS 12457945
TL;DR: BAS 12457945 (CAS 587014-20-8) is a chemical compound with molecular formula C20H26N6OS and molecular weight 398.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N',N'-dimethyl-N-(7-morpholin-4-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)ethane-1,2-diamine
Also Known As: BAS 12457945, N,N-dimethyl-N'-[4-(morpholin-4-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]ethane-1,2-diamine, N1,N1-dimethyl-N2-(4-morpholino-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)ethane-1,2-diamine
| Molecular Formula | C20H26N6OS |
|---|---|
| Molecular Weight | 398.19 g/mol |
| LogP | 2.5383 |
| Topological Polar Surface Area | 66.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.18887 |
| Heavy Atoms | 28 |
| Complexity | 1011.00745 |
Chemical Identifiers
| CAS Number | 587014-20-8 |
|---|---|
| SMILES | CN(C)CCNC1=NC=NC2=C1SC3=C2C4=C(CCC4)C(=N3)N5CCOCC5 |
Product Overview
BAS 12457945 (CAS 587014-20-8), with molecular formula C20H26N6OS and molecular weight 398.19 g/mol. IUPAC: N',N'-dimethyl-N-(7-morpholin-4-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)ethane-1,2-diamine.
Chemical Property Profile of BAS 12457945
Property Insights of BAS 12457945
The XLogP value of 2.5383 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12457945. The TPSA of 66.41 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12457945. Following Lipinski's Rule of Five, BAS 12457945 has 1 hydrogen bond donor(s) and 8 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 12457945?
The CAS number of BAS 12457945 is 587014-20-8.
What is the molecular formula of BAS 12457945?
The molecular formula of BAS 12457945 is C20H26N6OS.
What is the molecular weight of BAS 12457945?
The molecular weight of BAS 12457945 is 398.19 g/mol.
Where can I buy BAS 12457945?
You can request a quote for BAS 12457945 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12457945?
Yes, KEHONG BIO provides custom synthesis services for BAS 12457945 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.