BAS 07418225
TL;DR: BAS 07418225 (CAS 294203-53-5) is a chemical compound with molecular formula C18H13FN4S and molecular weight 336.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,8aS)-6-amino-8-(4-fluorophenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile
Also Known As: BAS 07418225, A0442/0020403, (8aS,8R)-6-amino-8-(4-fluorophenyl)-7,8,8a-trihydro-1H,3H-benzo[1,2-c]thiin-5, 7,7-tricarbonitrile, (8R,8AS)-6-AMINO-5,7-DICYANO-8-(4-FLUOROPHENYL)-8,8A-DIHYDRO-1H-ISOTHIOCHROMEN-7(3H)-YL CYANIDE, (8R,8aS)-6-amino-8-(4-fluorophenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile
| Molecular Formula | C18H13FN4S |
|---|---|
| Molecular Weight | 336.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 336.0845 |
| Heavy Atoms | 24 |
| Complexity | 732.0 |
Chemical Identifiers
| CAS Number | 294203-53-5 |
|---|---|
| SMILES | C1C=C2[C@@H](CS1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)F |
| InChIKey | OWRZYFCVHSQAEN-CVEARBPZSA-N |
Product Overview
BAS 07418225 (CAS 294203-53-5), with molecular formula C18H13FN4S and molecular weight 336.08 g/mol. IUPAC: (8R,8aS)-6-amino-8-(4-fluorophenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile.
Chemical Property Profile of BAS 07418225
Property Insights of BAS 07418225
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07418225. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07418225. Following Lipinski's Rule of Five, BAS 07418225 has 1 hydrogen bond donor(s) and 6 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 07418225?
The CAS number of BAS 07418225 is 294203-53-5.
What is the molecular formula of BAS 07418225?
The molecular formula of BAS 07418225 is C18H13FN4S.
What is the molecular weight of BAS 07418225?
The molecular weight of BAS 07418225 is 336.08 g/mol.
Where can I buy BAS 07418225?
You can request a quote for BAS 07418225 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07418225?
Yes, KEHONG BIO provides custom synthesis services for BAS 07418225 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.