BRN 1037004
TL;DR: BRN 1037004 (CAS 21709-29-5) is a chemical compound with molecular formula C14H17N3O6 and molecular weight 323.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(dimethylamino)propan-2-yl 5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate
Also Known As: 5-Methyl-3-(5-nitro-2-furyl)-4-isoxazolecarboxylic acid 2-(dimethylamino)-1-methylethyl ester, 1-(dimethylamino)propan-2-yl 5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate, 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 2-(dimethylamino)-1-methylethyl ester, BRN 1037004
| Molecular Formula | C14H17N3O6 |
|---|---|
| Molecular Weight | 323.11 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.11172 |
| Heavy Atoms | 23 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 21709-29-5 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=C(O2)[N+](=O)[O-])C(=O)OC(C)CN(C)C |
| InChIKey | DMBDBUMTCOGIGV-UHFFFAOYSA-N |
Product Overview
BRN 1037004 (CAS 21709-29-5), with molecular formula C14H17N3O6 and molecular weight 323.11 g/mol. IUPAC: 1-(dimethylamino)propan-2-yl 5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate.
Chemical Property Profile of BRN 1037004
Property Insights of BRN 1037004
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRN 1037004. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BRN 1037004. Following Lipinski's Rule of Five, BRN 1037004 has 0 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 1037004?
The CAS number of BRN 1037004 is 21709-29-5.
What is the molecular formula of BRN 1037004?
The molecular formula of BRN 1037004 is C14H17N3O6.
What is the molecular weight of BRN 1037004?
The molecular weight of BRN 1037004 is 323.11 g/mol.
Where can I buy BRN 1037004?
You can request a quote for BRN 1037004 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 1037004?
Yes, KEHONG BIO provides custom synthesis services for BRN 1037004 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.