Roxatidine bismuth citrate
TL;DR: Roxatidine bismuth citrate (CAS 178487-37-1) is a chemical compound with molecular formula C23H31BiN2O10 and molecular weight 704.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bismuth;2-hydroxy-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide;2-hydroxypropane-1,2,3-tricarboxylate
Also Known As: Roxatidine bismuth citrate, MX1, bismuth; 2-hydroxy-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide; 2-hydroxypropane-1,2,3-tricarboxylate
| Molecular Formula | C23H31BiN2O10 |
|---|---|
| Molecular Weight | 704.18 g/mol |
| LogP | -4.0835 |
| Topological Polar Surface Area | 202.42 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 704.1783 |
| Heavy Atoms | 36 |
| Complexity | 829.93823 |
Chemical Identifiers
| CAS Number | 178487-37-1 |
|---|---|
| SMILES | C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CO.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Bi+3] |
Product Overview
Roxatidine bismuth citrate (CAS 178487-37-1), with molecular formula C23H31BiN2O10 and molecular weight 704.18 g/mol. IUPAC: bismuth;2-hydroxy-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide;2-hydroxypropane-1,2,3-tricarboxylate.
Chemical Property Profile of Roxatidine bismuth citrate
Property Insights of Roxatidine bismuth citrate
The XLogP value of -4.0835 indicates that Roxatidine bismuth citrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 202.42 Ų indicates high polarity, suggesting Roxatidine bismuth citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Roxatidine bismuth citrate has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Roxatidine bismuth citrate?
The CAS number of Roxatidine bismuth citrate is 178487-37-1.
What is the molecular formula of Roxatidine bismuth citrate?
The molecular formula of Roxatidine bismuth citrate is C23H31BiN2O10.
What is the molecular weight of Roxatidine bismuth citrate?
The molecular weight of Roxatidine bismuth citrate is 704.18 g/mol.
Where can I buy Roxatidine bismuth citrate?
You can request a quote for Roxatidine bismuth citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Roxatidine bismuth citrate?
Yes, KEHONG BIO provides custom synthesis services for Roxatidine bismuth citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.