Bay 51105
TL;DR: Bay 51105 (CAS 2210-52-8) is a chemical compound with molecular formula C15H24ClN2O5PS and molecular weight 410.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chloro-2-diethoxyphosphinothioyloxy-5-nitrophenyl)methyl]-N-ethylethanamine
Also Known As: Bayer 51105, Phosphorothioic acid, O-(5-chloro-alpha-(diethylamino)-4-nitro-o-tolyl) O,O-diethyl ester, N-[(4-chloro-2-diethoxyphosphinothioyloxy-5-nitrophenyl)methyl]-N-ethylethanamine, O-[5-Chloro-alpha-(diethylamino)-4-nitro-o-tolyl]O,O-diethyl ester phosphorothioic acid, O-{5-Chloro-2-[(diethylamino)methyl]-4-nitrophenyl} O,O-diethyl phosphorothioate
| Molecular Formula | C15H24ClN2O5PS |
|---|---|
| Molecular Weight | 410.08 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 410.08322 |
| Heavy Atoms | 25 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 2210-52-8 |
|---|---|
| SMILES | CCN(CC)CC1=CC(=C(C=C1OP(=S)(OCC)OCC)Cl)[N+](=O)[O-] |
| InChIKey | DOPAZEJMAHSAEU-UHFFFAOYSA-N |
Product Overview
Bay 51105 (CAS 2210-52-8), with molecular formula C15H24ClN2O5PS and molecular weight 410.08 g/mol. IUPAC: N-[(4-chloro-2-diethoxyphosphinothioyloxy-5-nitrophenyl)methyl]-N-ethylethanamine.
Chemical Property Profile of Bay 51105
Property Insights of Bay 51105
The XLogP value of 4.8 indicates that Bay 51105 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bay 51105. Following Lipinski's Rule of Five, Bay 51105 has 0 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 Bay 51105?
The CAS number of Bay 51105 is 2210-52-8.
What is the molecular formula of Bay 51105?
The molecular formula of Bay 51105 is C15H24ClN2O5PS.
What is the molecular weight of Bay 51105?
The molecular weight of Bay 51105 is 410.08 g/mol.
Where can I buy Bay 51105?
You can request a quote for Bay 51105 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bay 51105?
Yes, KEHONG BIO provides custom synthesis services for Bay 51105 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.