BAS 02072864
TL;DR: BAS 02072864 (CAS 751475-56-6) is a chemical compound with molecular formula C25H31N2O4S+ and molecular weight 455.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-methyl-3-[(4-nitrophenyl)methyl]-1,3-thiazol-3-ium-5-yl]ethyl 3-methyladamantane-1-carboxylate
Also Known As: BAS 02072864, F0488-0014, 2-[4-methyl-3-[(4-nitrophenyl)methyl]-1,3-thiazol-3-ium-5-yl]ethyl 3-methyladamantane-1-carboxylate, 4-Methyl-5-[2-[[(3-methyltricyclo[3.3.1.13,7]dec-1-yl)carbonyl]oxy]ethyl]-3-[(4-nitrophenyl)methyl]thiazolium, 4-methyl-5-(2-{[(3-methyl-1-adamantyl)carbonyl]oxy}ethyl)-3-(4-nitrobenzyl)-1,3-thiazol-3-ium
| Molecular Formula | C25H31N2O4S+ |
|---|---|
| Molecular Weight | 455.20 g/mol |
| LogP | 4.99272 |
| Topological Polar Surface Area | 73.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 455.20044 |
| Heavy Atoms | 32 |
| Complexity | 1030.7114 |
Chemical Identifiers
| CAS Number | 751475-56-6 |
|---|---|
| SMILES | CC1=C(SC=[N+]1CC2=CC=C(C=C2)[N+](=O)[O-])CCOC(=O)C34CC5CC(C3)CC(C5)(C4)C |
Product Overview
BAS 02072864 (CAS 751475-56-6), with molecular formula C25H31N2O4S+ and molecular weight 455.20 g/mol. IUPAC: 2-[4-methyl-3-[(4-nitrophenyl)methyl]-1,3-thiazol-3-ium-5-yl]ethyl 3-methyladamantane-1-carboxylate.
Chemical Property Profile of BAS 02072864
Property Insights of BAS 02072864
The XLogP value of 4.99272 indicates that BAS 02072864 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.32 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02072864. Following Lipinski's Rule of Five, BAS 02072864 has 0 hydrogen bond donor(s) and 5 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 02072864?
The CAS number of BAS 02072864 is 751475-56-6.
What is the molecular formula of BAS 02072864?
The molecular formula of BAS 02072864 is C25H31N2O4S+.
What is the molecular weight of BAS 02072864?
The molecular weight of BAS 02072864 is 455.20 g/mol.
Where can I buy BAS 02072864?
You can request a quote for BAS 02072864 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02072864?
Yes, KEHONG BIO provides custom synthesis services for BAS 02072864 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.