BRN 1302377
TL;DR: BRN 1302377 (CAS 39978-40-0) is a chemical compound with molecular formula C18H18N4O7 and molecular weight 402.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[(2S)-3-hydroxy-1-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate
Also Known As: DL-Serine, N-((phenylmethoxy)carbonyl)-, (3-(5-nitro-2-furanyl)-2-propenylidene)hydrazide, N(sup 1)-(N'-Carbobenzoxy(+-)seryl)-N(sup 2)-(5'-nitro-2'-furyl-acrylidene)hydrazine, N-((Phenylmethoxy)carbonyl)-DL-serine (3-(5-nitro-2-furanyl)-2-propenylidene)hydrazide, BRN 1302377
| Molecular Formula | C18H18N4O7 |
|---|---|
| Molecular Weight | 402.12 g/mol |
| LogP | 1.5903 |
| Topological Polar Surface Area | 156.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 402.11755 |
| Heavy Atoms | 29 |
| Complexity | 892.6244 |
Chemical Identifiers
| CAS Number | 39978-40-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)N[C@@H](CO)C(=O)N/N=C/C=C/C2=CC=C(O2)[N+](=O)[O-] |
Product Overview
BRN 1302377 (CAS 39978-40-0), with molecular formula C18H18N4O7 and molecular weight 402.12 g/mol. IUPAC: benzyl N-[(2S)-3-hydroxy-1-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate.
Chemical Property Profile of BRN 1302377
Property Insights of BRN 1302377
The XLogP value of 1.5903 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRN 1302377. The TPSA of 156.3 Ų indicates high polarity, suggesting BRN 1302377 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BRN 1302377 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 1302377?
The CAS number of BRN 1302377 is 39978-40-0.
What is the molecular formula of BRN 1302377?
The molecular formula of BRN 1302377 is C18H18N4O7.
What is the molecular weight of BRN 1302377?
The molecular weight of BRN 1302377 is 402.12 g/mol.
Where can I buy BRN 1302377?
You can request a quote for BRN 1302377 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 1302377?
Yes, KEHONG BIO provides custom synthesis services for BRN 1302377 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.