BAS 06899705
TL;DR: BAS 06899705 (CAS 488783-68-2) is a chemical compound with molecular formula C19H17N5O2S and molecular weight 379.11 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-thiophen-3-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Also Known As: BAS 06899705, ethyl 6-amino-5,7,7-tricyano-8-(3-thienyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate, (8R,8aR)-ethyl 6-amino-5,7,7-tricyano-8-(thiophen-3-yl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate, ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-thiophen-3-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate, ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(thiophen-3-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
| Molecular Formula | C19H17N5O2S |
|---|---|
| Molecular Weight | 379.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.1103 |
| Heavy Atoms | 27 |
| Complexity | 848.0 |
Chemical Identifiers
| CAS Number | 488783-68-2 |
|---|---|
| SMILES | CCOC(=O)N1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CSC=C3 |
| InChIKey | KUQNRDWGSIFKAO-JKSUJKDBSA-N |
Product Overview
BAS 06899705 (CAS 488783-68-2), with molecular formula C19H17N5O2S and molecular weight 379.11 g/mol. IUPAC: ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-thiophen-3-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate.
Chemical Property Profile of BAS 06899705
Property Insights of BAS 06899705
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 06899705. The TPSA of 155.0 Ų indicates high polarity, suggesting BAS 06899705 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 06899705 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 06899705?
The CAS number of BAS 06899705 is 488783-68-2.
What is the molecular formula of BAS 06899705?
The molecular formula of BAS 06899705 is C19H17N5O2S.
What is the molecular weight of BAS 06899705?
The molecular weight of BAS 06899705 is 379.11 g/mol.
Where can I buy BAS 06899705?
You can request a quote for BAS 06899705 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06899705?
Yes, KEHONG BIO provides custom synthesis services for BAS 06899705 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.