BAS 06899758
TL;DR: BAS 06899758 (CAS 459155-62-5) is a chemical compound with molecular formula C24H19N5O3 and molecular weight 425.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(furan-3-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Also Known As: BAS 06899758, AM-807/13104340, (8R,8aR)-benzyl 6-amino-5,7,7-tricyano-8-(furan-3-yl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate, benzyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(furan-3-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate, benzyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(furan-3-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
| Molecular Formula | C24H19N5O3 |
|---|---|
| Molecular Weight | 425.15 g/mol |
| LogP | 3.34174 |
| Topological Polar Surface Area | 140.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.1488 |
| Heavy Atoms | 32 |
| Complexity | 1195.0613 |
Chemical Identifiers
| CAS Number | 459155-62-5 |
|---|---|
| SMILES | C1C=C2[C@H](CN1C(=O)OCC3=CC=CC=C3)[C@H](C(C(=C2C#N)N)(C#N)C#N)C4=COC=C4 |
Product Overview
BAS 06899758 (CAS 459155-62-5), with molecular formula C24H19N5O3 and molecular weight 425.15 g/mol. IUPAC: benzyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(furan-3-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate.
Chemical Property Profile of BAS 06899758
Property Insights of BAS 06899758
The XLogP value of 3.34174 indicates that BAS 06899758 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.07 Ų indicates high polarity, suggesting BAS 06899758 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 06899758 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 06899758?
The CAS number of BAS 06899758 is 459155-62-5.
What is the molecular formula of BAS 06899758?
The molecular formula of BAS 06899758 is C24H19N5O3.
What is the molecular weight of BAS 06899758?
The molecular weight of BAS 06899758 is 425.15 g/mol.
Where can I buy BAS 06899758?
You can request a quote for BAS 06899758 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06899758?
Yes, KEHONG BIO provides custom synthesis services for BAS 06899758 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.