BAS 00537808
TL;DR: BAS 00537808 (CAS 393837-64-4) is a chemical compound with molecular formula C16H21Cl3N6O2 and molecular weight 434.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-N-[2,2,2-trichloro-1-(6-morpholin-4-ylpurin-9-yl)ethyl]propanamide
Also Known As: BAS 00537808, 2,2-dimethyl-N-{2,2,2-trichloro-1-[6-(morpholin-4-yl)-9H-purin-9-yl]ethyl}propanamide, AB00592919-06, F0704-0026, 2,2-dimethyl-N-[2,2,2-trichloro-1-(6-morpholin-4-ylpurin-9-yl)ethyl]propanamide
| Molecular Formula | C16H21Cl3N6O2 |
|---|---|
| Molecular Weight | 434.08 g/mol |
| LogP | 2.694 |
| Topological Polar Surface Area | 85.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 434.07916 |
| Heavy Atoms | 27 |
| Complexity | 823.65045 |
Chemical Identifiers
| CAS Number | 393837-64-4 |
|---|---|
| SMILES | CC(C)(C)C(=O)NC(C(Cl)(Cl)Cl)N1C=NC2=C1N=CN=C2N3CCOCC3 |
Product Overview
BAS 00537808 (CAS 393837-64-4), with molecular formula C16H21Cl3N6O2 and molecular weight 434.08 g/mol. IUPAC: 2,2-dimethyl-N-[2,2,2-trichloro-1-(6-morpholin-4-ylpurin-9-yl)ethyl]propanamide.
Chemical Property Profile of BAS 00537808
Property Insights of BAS 00537808
The XLogP value of 2.694 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00537808. The TPSA of 85.17 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00537808. Following Lipinski's Rule of Five, BAS 00537808 has 1 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 00537808?
The CAS number of BAS 00537808 is 393837-64-4.
What is the molecular formula of BAS 00537808?
The molecular formula of BAS 00537808 is C16H21Cl3N6O2.
What is the molecular weight of BAS 00537808?
The molecular weight of BAS 00537808 is 434.08 g/mol.
Where can I buy BAS 00537808?
You can request a quote for BAS 00537808 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00537808?
Yes, KEHONG BIO provides custom synthesis services for BAS 00537808 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.