BRN 6243491
TL;DR: BRN 6243491 (CAS 104636-99-9) is a chemical compound with molecular formula C21H17N3O2 and molecular weight 343.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1H-indole-2-carbonyl)-11-methyl-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),9,11-trien-7-one
Also Known As: U 66694, U-66694, Cyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-one, 1,2,8,8a-tetrahydro-2-(1H-indol-2-ylcarbonyl)-7-methyl-, (+-)-, 2-(1H-Indole-2-carbonyl)-5-methyl-2,3,4,7-tetrahydrocyclopropa[c]pyrrolo[3,2-e]indol-8(1H)-one
| Molecular Formula | C21H17N3O2 |
|---|---|
| Molecular Weight | 343.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.13208 |
| Heavy Atoms | 26 |
| Complexity | 851.0 |
Chemical Identifiers
| CAS Number | 104636-99-9 |
|---|---|
| SMILES | CC1=C2CC23C4=C(C(=O)CC3=N1)NC(C4)C(=O)C5=CC6=CC=CC=C6N5 |
| InChIKey | ASDPPBSACIXPBS-UHFFFAOYSA-N |
Product Overview
BRN 6243491 (CAS 104636-99-9), with molecular formula C21H17N3O2 and molecular weight 343.13 g/mol. IUPAC: 4-(1H-indole-2-carbonyl)-11-methyl-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),9,11-trien-7-one.
Chemical Property Profile of BRN 6243491
Property Insights of BRN 6243491
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRN 6243491. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BRN 6243491. Following Lipinski's Rule of Five, BRN 6243491 has 2 hydrogen bond donor(s) and 4 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 BRN 6243491?
The CAS number of BRN 6243491 is 104636-99-9.
What is the molecular formula of BRN 6243491?
The molecular formula of BRN 6243491 is C21H17N3O2.
What is the molecular weight of BRN 6243491?
The molecular weight of BRN 6243491 is 343.13 g/mol.
Where can I buy BRN 6243491?
You can request a quote for BRN 6243491 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 6243491?
Yes, KEHONG BIO provides custom synthesis services for BRN 6243491 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.