BAS 07414801
TL;DR: BAS 07414801 (CAS 664994-01-8) is a chemical compound with molecular formula C14H17N5O2S and molecular weight 319.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,4-diamino-1,5-dicyano-3-thia-9-azaspiro[5.5]undeca-1,4-diene-9-carboxylate
Also Known As: BAS 07414801, ethyl 2,4-diamino-1,5-dicyano-3-thia-9-azaspiro[5.5]undeca-1,4-diene-9-carboxylate, AM-807/13612020, ethyl 8,10-diamino-7,11-dicyano-9-thia-3-azaspiro[5.5]undeca-7,10-diene-3-carboxylate
| Molecular Formula | C14H17N5O2S |
|---|---|
| Molecular Weight | 319.11 g/mol |
| LogP | 1.35966 |
| Topological Polar Surface Area | 129.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 319.1103 |
| Heavy Atoms | 22 |
| Complexity | 594.59906 |
Chemical Identifiers
| CAS Number | 664994-01-8 |
|---|---|
| SMILES | CCOC(=O)N1CCC2(CC1)C(=C(SC(=C2C#N)N)N)C#N |
Product Overview
BAS 07414801 (CAS 664994-01-8), with molecular formula C14H17N5O2S and molecular weight 319.11 g/mol. IUPAC: ethyl 2,4-diamino-1,5-dicyano-3-thia-9-azaspiro[5.5]undeca-1,4-diene-9-carboxylate.
Chemical Property Profile of BAS 07414801
Property Insights of BAS 07414801
The XLogP value of 1.35966 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07414801. The TPSA of 129.16 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07414801. Following Lipinski's Rule of Five, BAS 07414801 has 2 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 07414801?
The CAS number of BAS 07414801 is 664994-01-8.
What is the molecular formula of BAS 07414801?
The molecular formula of BAS 07414801 is C14H17N5O2S.
What is the molecular weight of BAS 07414801?
The molecular weight of BAS 07414801 is 319.11 g/mol.
Where can I buy BAS 07414801?
You can request a quote for BAS 07414801 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07414801?
Yes, KEHONG BIO provides custom synthesis services for BAS 07414801 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.