BRN 0865522
TL;DR: BRN 0865522 (CAS 4049-28-9) is a chemical compound with molecular formula C18H22N4O7 and molecular weight 406.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (7R,8S)-11-amino-8-(carbamoyloxymethyl)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-diene-5-carboxylate
Also Known As: Azirino(2',3':3,4)pyrrolo(1,2-a)indole-1(2H)-carboxylic acid, 1a,4,7,8,8a,8b-hexahydro-6-amino-4,7-dioxo-8-(hydroxymethyl)-8a-methoxy-5-methyl-, ethyl ester, carbamate (ester), Ethyl (8S,8aR)-6-amino-8-{[hydroxy(imino)methoxy]methyl}-8a-methoxy-5-methyl-4,7-dioxo-1a,4,7,8,8a,8b-hexahydroazirino[2',3':3,4]pyrrolo[1,2-a]indole-1(2H)-carboxylate, Ethyl 6-amino-8-{[hydroxy(imino)methoxy]methyl}-8a-methoxy-5-methyl-4,7-dioxo-1a,4,7,8,8a,8b-hexahydroazireno[2',3':3,4]pyrrolo[1,2-a]indole-1(2H)-carboxylate
| Molecular Formula | C18H22N4O7 |
|---|---|
| Molecular Weight | 406.15 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.14883 |
| Heavy Atoms | 29 |
| Complexity | 910.0 |
Chemical Identifiers
| CAS Number | 4049-28-9 |
|---|---|
| SMILES | CCOC(=O)N1C2C1[C@@]3([C@@H](C4=C(N3C2)C(=O)C(=C(C4=O)N)C)COC(=O)N)OC |
| InChIKey | OOVOKOKGEDWERS-KGOMGJPGSA-N |
Product Overview
BRN 0865522 (CAS 4049-28-9), with molecular formula C18H22N4O7 and molecular weight 406.15 g/mol. IUPAC: ethyl (7R,8S)-11-amino-8-(carbamoyloxymethyl)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-diene-5-carboxylate.
Chemical Property Profile of BRN 0865522
Property Insights of BRN 0865522
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRN 0865522. The TPSA of 154.0 Ų indicates high polarity, suggesting BRN 0865522 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BRN 0865522 has 2 hydrogen bond donor(s) and 9 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 0865522?
The CAS number of BRN 0865522 is 4049-28-9.
What is the molecular formula of BRN 0865522?
The molecular formula of BRN 0865522 is C18H22N4O7.
What is the molecular weight of BRN 0865522?
The molecular weight of BRN 0865522 is 406.15 g/mol.
Where can I buy BRN 0865522?
You can request a quote for BRN 0865522 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 0865522?
Yes, KEHONG BIO provides custom synthesis services for BRN 0865522 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.