BAS 00221459
TL;DR: BAS 00221459 (CAS 164297-35-2) is a chemical compound with molecular formula C24H13N3O8S2 and molecular weight 535.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (9Z)-2,5,7-trinitro-9-(5-phenyldithiol-3-ylidene)fluorene-4-carboxylate
Also Known As: BAS 00221459, methyl (9Z)-2,5,7-trinitro-9-(5-phenyldithiol-3-ylidene)fluorene-4-carboxylate, methyl 2,5,7-trinitro-9-(5-phenyl(1,2-dithiolen-3-ylidene))fluorene-4-carboxyl ate, methyl 2,5,7-trisnitro-9-(5-phenyl-3H-1,2-dithiol-3-ylidene)-9H-fluorene-4-carboxylate, (Z)-methyl 2,5,7-trinitro-9-(5-phenyl-3H-1,2-dithiol-3-ylidene)-9H-fluorene-4-carboxylate
| Molecular Formula | C24H13N3O8S2 |
|---|---|
| Molecular Weight | 535.01 g/mol |
| LogP | 6.3737 |
| Topological Polar Surface Area | 155.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 535.0144 |
| Heavy Atoms | 37 |
| Complexity | 1615.9106 |
Chemical Identifiers
| CAS Number | 164297-35-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC\2=C1C3=C(/C2=C\4/C=C(SS4)C5=CC=CC=C5)C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
BAS 00221459 (CAS 164297-35-2), with molecular formula C24H13N3O8S2 and molecular weight 535.01 g/mol. IUPAC: methyl (9Z)-2,5,7-trinitro-9-(5-phenyldithiol-3-ylidene)fluorene-4-carboxylate.
Chemical Property Profile of BAS 00221459
Property Insights of BAS 00221459
The XLogP value of 6.3737 indicates that BAS 00221459 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.72 Ų indicates high polarity, suggesting BAS 00221459 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00221459 has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00221459?
The CAS number of BAS 00221459 is 164297-35-2.
What is the molecular formula of BAS 00221459?
The molecular formula of BAS 00221459 is C24H13N3O8S2.
What is the molecular weight of BAS 00221459?
The molecular weight of BAS 00221459 is 535.01 g/mol.
Where can I buy BAS 00221459?
You can request a quote for BAS 00221459 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00221459?
Yes, KEHONG BIO provides custom synthesis services for BAS 00221459 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.