BIM-0039921.P001
TL;DR: BIM-0039921.P001 (CAS 5987-28-0) is a chemical compound with molecular formula C13H11N3O7 and molecular weight 321.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione
Also Known As: BIM-0039921.P001, 3-acetoxy-16-morpholin-4-yl-androstan-17-ol, (5Z)-5-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione, Acetic acid (3S,5S,10S,13S,16S,17S)-17-hydroxy-10,13-dimethyl-16-morpholin-4-yl-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester
| Molecular Formula | C13H11N3O7 |
|---|---|
| Molecular Weight | 321.06 g/mol |
| LogP | 0.4006 |
| Topological Polar Surface Area | 139.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.0597 |
| Heavy Atoms | 23 |
| Complexity | 769.0768 |
Chemical Identifiers
| CAS Number | 5987-28-0 |
|---|---|
| SMILES | CN1C(=O)/C(=C\C2=C(C(=CC(=C2)[N+](=O)[O-])OC)O)/C(=O)NC1=O |
Product Overview
BIM-0039921.P001 (CAS 5987-28-0), with molecular formula C13H11N3O7 and molecular weight 321.06 g/mol. IUPAC: (5Z)-5-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of BIM-0039921.P001
Property Insights of BIM-0039921.P001
The XLogP value of 0.4006 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0039921.P001. The TPSA of 139.08 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0039921.P001. Following Lipinski's Rule of Five, BIM-0039921.P001 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 BIM-0039921.P001?
The CAS number of BIM-0039921.P001 is 5987-28-0.
What is the molecular formula of BIM-0039921.P001?
The molecular formula of BIM-0039921.P001 is C13H11N3O7.
What is the molecular weight of BIM-0039921.P001?
The molecular weight of BIM-0039921.P001 is 321.06 g/mol.
Where can I buy BIM-0039921.P001?
You can request a quote for BIM-0039921.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0039921.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0039921.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.