BRN 1185756
TL;DR: BRN 1185756 (CAS 14769-03-0) is a chemical compound with molecular formula C21H30N4O5 and molecular weight 418.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7R,8S)-11-(hexylamino)-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-(hexylamino)-8-(hydroxymethyl)-8a-methoxy-5-methyl-, carbamate (ester), [(8S,8aR)-6-(Hexylamino)-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-(Hexylamino)-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, Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 8-(((aminocarbonyl)oxy)methyl)-6-(hexylamino)-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, (1aS-(1aalpha,8beta,8aalpha,8balpha))-
| Molecular Formula | C21H30N4O5 |
|---|---|
| Molecular Weight | 418.22 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 418.22162 |
| Heavy Atoms | 30 |
| Complexity | 850.0 |
Chemical Identifiers
| CAS Number | 14769-03-0 |
|---|---|
| SMILES | CCCCCCNC1=C(C(=O)C2=C(C1=O)[C@H]([C@@]3(N2CC4C3N4)OC)COC(=O)N)C |
| InChIKey | BXNROVYWPQUAQT-QHLODZMVSA-N |
Product Overview
BRN 1185756 (CAS 14769-03-0), with molecular formula C21H30N4O5 and molecular weight 418.22 g/mol. IUPAC: [(7R,8S)-11-(hexylamino)-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 1185756
Property Insights of BRN 1185756
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRN 1185756. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BRN 1185756. Following Lipinski's Rule of Five, BRN 1185756 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 1185756?
The CAS number of BRN 1185756 is 14769-03-0.
What is the molecular formula of BRN 1185756?
The molecular formula of BRN 1185756 is C21H30N4O5.
What is the molecular weight of BRN 1185756?
The molecular weight of BRN 1185756 is 418.22 g/mol.
Where can I buy BRN 1185756?
You can request a quote for BRN 1185756 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 1185756?
Yes, KEHONG BIO provides custom synthesis services for BRN 1185756 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.