BAS 06899710
TL;DR: BAS 06899710 (CAS 488783-74-0) is a chemical compound with molecular formula C20H19N5O3 and molecular weight 377.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(5-methylfuran-2-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Also Known As: BAS 06899710, (8R,8aR)-ethyl 6-amino-5,7,7-tricyano-8-(5-methylfuran-2-yl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate, ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(5-methylfuran-2-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate, ethyl 6-amino-5,7,7-tricyano-8-(5-methyl-2-furyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate, ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(5-methylfuran-2-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
| Molecular Formula | C20H19N5O3 |
|---|---|
| Molecular Weight | 377.15 g/mol |
| LogP | 2.46986 |
| Topological Polar Surface Area | 140.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 377.1488 |
| Heavy Atoms | 28 |
| Complexity | 984.2569 |
Chemical Identifiers
| CAS Number | 488783-74-0 |
|---|---|
| SMILES | CCOC(=O)N1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(O3)C |
Product Overview
BAS 06899710 (CAS 488783-74-0), with molecular formula C20H19N5O3 and molecular weight 377.15 g/mol. IUPAC: ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(5-methylfuran-2-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate.
Chemical Property Profile of BAS 06899710
Property Insights of BAS 06899710
The XLogP value of 2.46986 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 06899710. The TPSA of 140.07 Ų indicates high polarity, suggesting BAS 06899710 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 06899710 has 1 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 06899710?
The CAS number of BAS 06899710 is 488783-74-0.
What is the molecular formula of BAS 06899710?
The molecular formula of BAS 06899710 is C20H19N5O3.
What is the molecular weight of BAS 06899710?
The molecular weight of BAS 06899710 is 377.15 g/mol.
Where can I buy BAS 06899710?
You can request a quote for BAS 06899710 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06899710?
Yes, KEHONG BIO provides custom synthesis services for BAS 06899710 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.