BRN 0857109
TL;DR: BRN 0857109 (CAS 4049-15-4) is a chemical compound with molecular formula C17H22N4O5 and molecular weight 362.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7R,8S)-11-(dimethylamino)-7-methoxy-12-methyl-10,13-dioxo-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-6-dimethylamino-8-(hydroxymethyl)-8a-methoxy-5-methyl-, carbamate, [(8S,8aR)-6-(Dimethylamino)-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate, [6-(Dimethylamino)-8a-methoxy-5-methyl-4,7-dioxo-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 | C17H22N4O5 |
|---|---|
| Molecular Weight | 362.16 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.15903 |
| Heavy Atoms | 26 |
| Complexity | 801.0 |
Chemical Identifiers
| CAS Number | 4049-15-4 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)N3CC4C([C@@]3([C@@H]2COC(=O)N)OC)N4)N(C)C |
| InChIKey | DRCNXQMGFFOXLK-QNTWZPOASA-N |
Product Overview
BRN 0857109 (CAS 4049-15-4), with molecular formula C17H22N4O5 and molecular weight 362.16 g/mol. IUPAC: [(7R,8S)-11-(dimethylamino)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate.
Chemical Property Profile of BRN 0857109
Property Insights of BRN 0857109
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRN 0857109. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BRN 0857109. Following Lipinski's Rule of Five, BRN 0857109 has 2 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 0857109?
The CAS number of BRN 0857109 is 4049-15-4.
What is the molecular formula of BRN 0857109?
The molecular formula of BRN 0857109 is C17H22N4O5.
What is the molecular weight of BRN 0857109?
The molecular weight of BRN 0857109 is 362.16 g/mol.
Where can I buy BRN 0857109?
You can request a quote for BRN 0857109 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 0857109?
Yes, KEHONG BIO provides custom synthesis services for BRN 0857109 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.