BRN 1184806
TL;DR: BRN 1184806 (CAS 14769-02-9) is a chemical compound with molecular formula C20H28N4O5 and molecular weight 404.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7R,8S)-7-methoxy-12-methyl-10,13-dioxo-11-(pentylamino)-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Also Known As: Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a-methoxy-5-methyl-6-(pentylamino)-, carbamate (ester), [(8S,8aR)-8a-Methoxy-5-methyl-4,7-dioxo-6-(pentylamino)-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate, [8a-Methoxy-5-methyl-4,7-dioxo-6-(pentylamino)-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate
| Molecular Formula | C20H28N4O5 |
|---|---|
| Molecular Weight | 404.21 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 404.20596 |
| Heavy Atoms | 29 |
| Complexity | 835.0 |
Chemical Identifiers
| CAS Number | 14769-02-9 |
|---|---|
| SMILES | CCCCCNC1=C(C(=O)C2=C(C1=O)[C@H]([C@@]3(N2CC4C3N4)OC)COC(=O)N)C |
| InChIKey | XQRNPXLHNAGHEJ-WXRBLJGGSA-N |
Product Overview
BRN 1184806 (CAS 14769-02-9), with molecular formula C20H28N4O5 and molecular weight 404.21 g/mol. IUPAC: [(7R,8S)-7-methoxy-12-methyl-10,13-dioxo-11-(pentylamino)-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate.
Chemical Property Profile of BRN 1184806
Property Insights of BRN 1184806
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRN 1184806. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BRN 1184806. Following Lipinski's Rule of Five, BRN 1184806 has 3 hydrogen bond donor(s) and 8 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 1184806?
The CAS number of BRN 1184806 is 14769-02-9.
What is the molecular formula of BRN 1184806?
The molecular formula of BRN 1184806 is C20H28N4O5.
What is the molecular weight of BRN 1184806?
The molecular weight of BRN 1184806 is 404.21 g/mol.
Where can I buy BRN 1184806?
You can request a quote for BRN 1184806 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 1184806?
Yes, KEHONG BIO provides custom synthesis services for BRN 1184806 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.