Bay a 5850
TL;DR: Bay a 5850 (CAS 36892-43-0) is a chemical compound with molecular formula C22H25Cl2N3O4 and molecular weight 465.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[[4-[bis(2-chloroethyl)amino]-2,5-dimethoxyphenyl]methylideneamino]phenyl]-1,3-oxazolidin-2-one
Also Known As: Bay a 5850, Bay-a 5850, Bay-a-5850, 3-(4-(((4-(Bis(2-chloroethyl)amino)-2,5-dimethoxyphenyl)methylene)amino)phenyl)-2-oxazolidinone, 3-(p-(2',5'-Dimethoxy-4'-(N,N-bis(beta-chloroethyl)amino)benzylideneamino)phenyl)-2-oxazolidinone
| Molecular Formula | C22H25Cl2N3O4 |
|---|---|
| Molecular Weight | 465.12 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 465.12222 |
| Heavy Atoms | 31 |
| Complexity | 583.0 |
Chemical Identifiers
| CAS Number | 36892-43-0 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C=NC2=CC=C(C=C2)N3CCOC3=O)OC)N(CCCl)CCCl |
| InChIKey | NXKFWYZCQRNZLH-UHFFFAOYSA-N |
Product Overview
Bay a 5850 (CAS 36892-43-0), with molecular formula C22H25Cl2N3O4 and molecular weight 465.12 g/mol. IUPAC: 3-[4-[[4-[bis(2-chloroethyl)amino]-2,5-dimethoxyphenyl]methylideneamino]phenyl]-1,3-oxazolidin-2-one.
Chemical Property Profile of Bay a 5850
Property Insights of Bay a 5850
The XLogP value of 4.0 indicates that Bay a 5850 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Bay a 5850. Following Lipinski's Rule of Five, Bay a 5850 has 0 hydrogen bond donor(s) and 6 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 a 5850?
The CAS number of Bay a 5850 is 36892-43-0.
What is the molecular formula of Bay a 5850?
The molecular formula of Bay a 5850 is C22H25Cl2N3O4.
What is the molecular weight of Bay a 5850?
The molecular weight of Bay a 5850 is 465.12 g/mol.
Where can I buy Bay a 5850?
You can request a quote for Bay a 5850 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bay a 5850?
Yes, KEHONG BIO provides custom synthesis services for Bay a 5850 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.