BAS 07414108
TL;DR: BAS 07414108 (CAS 845629-73-4) is a chemical compound with molecular formula C18H15N5O4 and molecular weight 365.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(6'-amino-5'-cyano-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-3'-yl)acetate
Also Known As: BAS 07414108, ethyl (6'-amino-5'-cyano-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-3'-yl)acetate, ethyl 2-(6'-amino-5'-cyano-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazol]-3'-yl)acetate, ethyl 2-(6'-amino-5'-cyano-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-3'-yl)acetate
| Molecular Formula | C18H15N5O4 |
|---|---|
| Molecular Weight | 365.11 g/mol |
| LogP | 0.83978 |
| Topological Polar Surface Area | 143.12 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.1124 |
| Heavy Atoms | 27 |
| Complexity | 1048.2617 |
Chemical Identifiers
| CAS Number | 845629-73-4 |
|---|---|
| SMILES | CCOC(=O)CC1=C2C(=NN1)OC(=C(C23C4=CC=CC=C4NC3=O)C#N)N |
Product Overview
BAS 07414108 (CAS 845629-73-4), with molecular formula C18H15N5O4 and molecular weight 365.11 g/mol. IUPAC: ethyl 2-(6'-amino-5'-cyano-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-3'-yl)acetate.
Chemical Property Profile of BAS 07414108
Property Insights of BAS 07414108
The XLogP value of 0.83978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07414108. The TPSA of 143.12 Ų indicates high polarity, suggesting BAS 07414108 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 07414108 has 3 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 07414108?
The CAS number of BAS 07414108 is 845629-73-4.
What is the molecular formula of BAS 07414108?
The molecular formula of BAS 07414108 is C18H15N5O4.
What is the molecular weight of BAS 07414108?
The molecular weight of BAS 07414108 is 365.11 g/mol.
Where can I buy BAS 07414108?
You can request a quote for BAS 07414108 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07414108?
Yes, KEHONG BIO provides custom synthesis services for BAS 07414108 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.