BAS 00333736
TL;DR: BAS 00333736 (CAS 371780-90-4) is a chemical compound with molecular formula C17H21N3O6S and molecular weight 395.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-nitrophenyl)carbamothioyl]-2-[2-oxo-5-(propan-2-yloxymethyl)oxolan-3-yl]acetamide
Also Known As: BAS 00333736, 1-[2-(5-Isopropoxymethyl-2-oxo-tetrahydro-furan-3-yl)-acetyl]-3-(3-nitro-phenyl)-thiourea, N-[(3-nitrophenyl)carbamothioyl]-2-[2-oxo-5-(propan-2-yloxymethyl)oxolan-3-yl]acetamide, 2-(5-(isopropoxymethyl)-2-oxotetrahydrofuran-3-yl)-N-((3-nitrophenyl)carbamothioyl)acetamide, 2-{5-[(methylethoxy)methyl]-2-oxo(3-3,4,5-trihydrofuryl)}-N-{[(3-nitrophenyl)a mino]thioxomethyl}acetamide
| Molecular Formula | C17H21N3O6S |
|---|---|
| Molecular Weight | 395.12 g/mol |
| LogP | 2.1546 |
| Topological Polar Surface Area | 119.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 395.1151 |
| Heavy Atoms | 27 |
| Complexity | 739.13385 |
Chemical Identifiers
| CAS Number | 371780-90-4 |
|---|---|
| SMILES | CC(C)OCC1CC(C(=O)O1)CC(=O)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
BAS 00333736 (CAS 371780-90-4), with molecular formula C17H21N3O6S and molecular weight 395.12 g/mol. IUPAC: N-[(3-nitrophenyl)carbamothioyl]-2-[2-oxo-5-(propan-2-yloxymethyl)oxolan-3-yl]acetamide.
Chemical Property Profile of BAS 00333736
Property Insights of BAS 00333736
The XLogP value of 2.1546 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00333736. The TPSA of 119.8 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00333736. Following Lipinski's Rule of Five, BAS 00333736 has 2 hydrogen bond donor(s) and 7 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 BAS 00333736?
The CAS number of BAS 00333736 is 371780-90-4.
What is the molecular formula of BAS 00333736?
The molecular formula of BAS 00333736 is C17H21N3O6S.
What is the molecular weight of BAS 00333736?
The molecular weight of BAS 00333736 is 395.12 g/mol.
Where can I buy BAS 00333736?
You can request a quote for BAS 00333736 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00333736?
Yes, KEHONG BIO provides custom synthesis services for BAS 00333736 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.