丹参二醇C
TL;DR: 丹参二醇C (CAS 96839-30-4) is a chemical compound with molecular formula C16H16N4O8S2 and molecular weight 456.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丹参二醇C
1,4-bis[(3-nitrophenyl)sulfonyl]piperazine
Also Known As: 1,4-bis[(3-nitrophenyl)sulfonyl]piperazine, piperazine, 1,4-bis[(3-nitrophenyl)sulfonyl]-, 1,4-Bis(3-nitrobenzene-1-sulfonyl)piperazine, 1,4-bis-(3-nitro-benzenesulfonyl)-piperazine, 3-nitro-1-({4-[(3-nitrophenyl)sulfonyl]piperazinyl}sulfonyl)benzene
| Molecular Formula | C16H16N4O8S2 |
|---|---|
| Molecular Weight | 456.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.04095 |
| Heavy Atoms | 30 |
| Complexity | 776.0 |
Chemical Identifiers
| CAS Number | 96839-30-4 |
|---|---|
| SMILES | C1CN(CCN1S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] |
| InChIKey | BNRSIRFDVAGMLK-UHFFFAOYSA-N |
Product Overview
丹参二醇C (CAS 96839-30-4), with molecular formula C16H16N4O8S2 and molecular weight 456.04 g/mol. IUPAC: 1,4-bis[(3-nitrophenyl)sulfonyl]piperazine.
Chemical Property Profile of 丹参二醇C
Property Insights of 丹参二醇C
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丹参二醇C. The TPSA of 183.0 Ų indicates high polarity, suggesting 丹参二醇C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 丹参二醇C has 0 hydrogen bond donor(s) and 10 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 丹参二醇C?
The CAS number of 丹参二醇C is 96839-30-4.
What is the molecular formula of 丹参二醇C?
The molecular formula of 丹参二醇C is C16H16N4O8S2.
What is the molecular weight of 丹参二醇C?
The molecular weight of 丹参二醇C is 456.04 g/mol.
Where can I buy 丹参二醇C?
You can request a quote for 丹参二醇C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丹参二醇C?
Yes, KEHONG BIO provides custom synthesis services for 丹参二醇C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.