ChemDiv1_002412
TL;DR: ChemDiv1_002412 (CAS 313381-98-5) is a chemical compound with molecular formula C18H15BrN2O5 and molecular weight 418.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2'-amino-5-bromo-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate
Also Known As: ChemDiv1_002412, BAS 01108273, A0907/0042606, methyl 2-amino-5'-bromo-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carboxylate, methyl 2'-amino-5-bromo-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate
| Molecular Formula | C18H15BrN2O5 |
|---|---|
| Molecular Weight | 418.02 g/mol |
| LogP | 2.0196 |
| Topological Polar Surface Area | 107.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 418.01642 |
| Heavy Atoms | 26 |
| Complexity | 948.8999 |
Chemical Identifiers
| CAS Number | 313381-98-5 |
|---|---|
| SMILES | COC(=O)C1=C(OC2=C(C13C4=C(C=CC(=C4)Br)NC3=O)C(=O)CCC2)N |
Product Overview
ChemDiv1_002412 (CAS 313381-98-5), with molecular formula C18H15BrN2O5 and molecular weight 418.02 g/mol. IUPAC: methyl 2'-amino-5-bromo-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate.
Chemical Property Profile of ChemDiv1_002412
Property Insights of ChemDiv1_002412
The XLogP value of 2.0196 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_002412. The TPSA of 107.72 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002412. Following Lipinski's Rule of Five, ChemDiv1_002412 has 2 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 ChemDiv1_002412?
The CAS number of ChemDiv1_002412 is 313381-98-5.
What is the molecular formula of ChemDiv1_002412?
The molecular formula of ChemDiv1_002412 is C18H15BrN2O5.
What is the molecular weight of ChemDiv1_002412?
The molecular weight of ChemDiv1_002412 is 418.02 g/mol.
Where can I buy ChemDiv1_002412?
You can request a quote for ChemDiv1_002412 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002412?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002412 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.