Buloxibutid
TL;DR: Buloxibutid (CAS 402567-16-2) is a chemical compound with molecular formula C23H29N3O4S2 and molecular weight 475.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl N-[3-[4-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
Also Known As: Buloxibutid, Compound 21, AT2 Agonist C21, Firategrast, AT2 receptor agonist C21
| Molecular Formula | C23H29N3O4S2 |
|---|---|
| Molecular Weight | 475.16 g/mol |
| LogP | 5.0734 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 475.15994 |
| Heavy Atoms | 32 |
| Complexity | 1118.7155 |
Chemical Identifiers
| CAS Number | 402567-16-2 |
|---|---|
| SMILES | CCCCOC(=O)NS(=O)(=O)C1=C(C=C(S1)CC(C)C)C2=CC=C(C=C2)CN3C=CN=C3 |
Product Overview
Buloxibutid (CAS 402567-16-2), with molecular formula C23H29N3O4S2 and molecular weight 475.16 g/mol. IUPAC: butyl N-[3-[4-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate.
Chemical Property Profile of Buloxibutid
Property Insights of Buloxibutid
The XLogP value of 5.0734 indicates that Buloxibutid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Buloxibutid. Following Lipinski's Rule of Five, Buloxibutid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Buloxibutid?
The CAS number of Buloxibutid is 402567-16-2.
What is the molecular formula of Buloxibutid?
The molecular formula of Buloxibutid is C23H29N3O4S2.
What is the molecular weight of Buloxibutid?
The molecular weight of Buloxibutid is 475.16 g/mol.
Where can I buy Buloxibutid?
You can request a quote for Buloxibutid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Buloxibutid?
Yes, KEHONG BIO provides custom synthesis services for Buloxibutid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.