BAS 06899789
TL;DR: BAS 06899789 (CAS 445462-63-5) is a chemical compound with molecular formula C21H19F2N5 and molecular weight 379.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,8aR)-6-amino-8-(2,4-difluorophenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: BAS 06899789, 6-amino-8-(2,4-difluorophenyl)-2-propyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile, AM-807/12740218, (8R,8aR)-6-amino-8-(2,4-difluorophenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile, (8R,8aR)-6-amino-8-(2,4-difluorophenyl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
| Molecular Formula | C21H19F2N5 |
|---|---|
| Molecular Weight | 379.16 g/mol |
| LogP | 3.10014 |
| Topological Polar Surface Area | 100.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.16086 |
| Heavy Atoms | 28 |
| Complexity | 975.51904 |
Chemical Identifiers
| CAS Number | 445462-63-5 |
|---|---|
| SMILES | CCCN1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=C(C=C(C=C3)F)F |
Product Overview
BAS 06899789 (CAS 445462-63-5), with molecular formula C21H19F2N5 and molecular weight 379.16 g/mol. IUPAC: (8R,8aR)-6-amino-8-(2,4-difluorophenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
Chemical Property Profile of BAS 06899789
Property Insights of BAS 06899789
The XLogP value of 3.10014 indicates that BAS 06899789 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06899789. Following Lipinski's Rule of Five, BAS 06899789 has 1 hydrogen bond donor(s) and 5 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 06899789?
The CAS number of BAS 06899789 is 445462-63-5.
What is the molecular formula of BAS 06899789?
The molecular formula of BAS 06899789 is C21H19F2N5.
What is the molecular weight of BAS 06899789?
The molecular weight of BAS 06899789 is 379.16 g/mol.
Where can I buy BAS 06899789?
You can request a quote for BAS 06899789 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06899789?
Yes, KEHONG BIO provides custom synthesis services for BAS 06899789 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.