BAS 07416038
TL;DR: BAS 07416038 (CAS 296800-63-0) is a chemical compound with molecular formula C21H14ClN5O2 and molecular weight 403.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6'-amino-5-chloro-3'-methyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
Also Known As: BAS 07416038, J3.173.658G, A0843/0039535, 6'-amino-5-chloro-3'-methyl-2-oxo-1'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile, 1-Phenyl-2 -oxo-3-methyl-5 -chloro-6-aminospiro[pyrano[2,3-c]pyrazole-4(1H),3 -indoline]-5-carbonitrile
| Molecular Formula | C21H14ClN5O2 |
|---|---|
| Molecular Weight | 403.08 g/mol |
| LogP | 3.1586 |
| Topological Polar Surface Area | 105.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 403.0836 |
| Heavy Atoms | 29 |
| Complexity | 1272.2139 |
Chemical Identifiers
| CAS Number | 296800-63-0 |
|---|---|
| SMILES | CC1=NN(C2=C1C3(C4=C(C=CC(=C4)Cl)NC3=O)C(=C(O2)N)C#N)C5=CC=CC=C5 |
Product Overview
BAS 07416038 (CAS 296800-63-0), with molecular formula C21H14ClN5O2 and molecular weight 403.08 g/mol. IUPAC: 6'-amino-5-chloro-3'-methyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile.
Chemical Property Profile of BAS 07416038
Property Insights of BAS 07416038
The XLogP value of 3.1586 indicates that BAS 07416038 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.96 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07416038. Following Lipinski's Rule of Five, BAS 07416038 has 2 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 07416038?
The CAS number of BAS 07416038 is 296800-63-0.
What is the molecular formula of BAS 07416038?
The molecular formula of BAS 07416038 is C21H14ClN5O2.
What is the molecular weight of BAS 07416038?
The molecular weight of BAS 07416038 is 403.08 g/mol.
Where can I buy BAS 07416038?
You can request a quote for BAS 07416038 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07416038?
Yes, KEHONG BIO provides custom synthesis services for BAS 07416038 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.