BRN 1337827
TL;DR: BRN 1337827 (CAS 39978-31-9) is a chemical compound with molecular formula C23H23N5O8 and molecular weight 497.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5S)-5-(furan-2-carbonylamino)-6-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]-6-oxohexyl]furan-2-carboxamide
Also Known As: N(sup 1)-(5'-Nitro-2'-furylacrylidene)-N(sup 2)-(N-alpha,N-beta-2''-difuroyllysyl)hydrazine, DL-Lysine, N(sup 2),N(sup 8)-bis(2-furanylcarbonyl)-, (3-(5-nitro-2-furanyl)-2-propenylidene)hydrazide, BRN 1337827
| Molecular Formula | C23H23N5O8 |
|---|---|
| Molecular Weight | 497.15 g/mol |
| LogP | 2.8879 |
| Topological Polar Surface Area | 182.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 497.15466 |
| Heavy Atoms | 36 |
| Complexity | 1211.205 |
Chemical Identifiers
| CAS Number | 39978-31-9 |
|---|---|
| SMILES | C1=COC(=C1)C(=O)NCCCC[C@@H](C(=O)N/N=C/C=C/C2=CC=C(O2)[N+](=O)[O-])NC(=O)C3=CC=CO3 |
Product Overview
BRN 1337827 (CAS 39978-31-9), with molecular formula C23H23N5O8 and molecular weight 497.15 g/mol. IUPAC: N-[(5S)-5-(furan-2-carbonylamino)-6-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]-6-oxohexyl]furan-2-carboxamide.
Chemical Property Profile of BRN 1337827
Property Insights of BRN 1337827
The XLogP value of 2.8879 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRN 1337827. The TPSA of 182.22 Ų indicates high polarity, suggesting BRN 1337827 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BRN 1337827 has 3 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 1337827?
The CAS number of BRN 1337827 is 39978-31-9.
What is the molecular formula of BRN 1337827?
The molecular formula of BRN 1337827 is C23H23N5O8.
What is the molecular weight of BRN 1337827?
The molecular weight of BRN 1337827 is 497.15 g/mol.
Where can I buy BRN 1337827?
You can request a quote for BRN 1337827 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 1337827?
Yes, KEHONG BIO provides custom synthesis services for BRN 1337827 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.