3X-0868
TL;DR: 3X-0868 (CAS 865660-33-9) is a chemical compound with molecular formula C31H35N3O4 and molecular weight 513.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-pentoxy-N-[1-(4-pentoxybenzoyl)benzimidazol-5-yl]benzamide
Also Known As: 3X-0868, 4-pentoxy-N-[1-(4-pentoxybenzoyl)benzimidazol-5-yl]benzamide, 4-(pentyloxy)-N-{1-[4-(pentyloxy)benzoyl]-1H-1,3-benzimidazol-5-yl}benzenecarboxamide, 4-(pentyloxy)-N-{1-[4-(pentyloxy)benzoyl]-1H-1,3-benzodiazol-5-yl}benzamide, 4-pentoxy-N-[1-(4-pentoxybenzoyl)benzoimidazol-5-yl]benzamide
| Molecular Formula | C31H35N3O4 |
|---|---|
| Molecular Weight | 513.26 g/mol |
| LogP | 7.1151 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 513.26276 |
| Heavy Atoms | 38 |
| Complexity | 1344.0747 |
Chemical Identifiers
| CAS Number | 865660-33-9 |
|---|---|
| SMILES | CCCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N(C=N3)C(=O)C4=CC=C(C=C4)OCCCCC |
Product Overview
3X-0868 (CAS 865660-33-9), with molecular formula C31H35N3O4 and molecular weight 513.26 g/mol. IUPAC: 4-pentoxy-N-[1-(4-pentoxybenzoyl)benzimidazol-5-yl]benzamide.
Chemical Property Profile of 3X-0868
Property Insights of 3X-0868
The XLogP value of 7.1151 indicates that 3X-0868 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 3X-0868. Following Lipinski's Rule of Five, 3X-0868 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3X-0868?
The CAS number of 3X-0868 is 865660-33-9.
What is the molecular formula of 3X-0868?
The molecular formula of 3X-0868 is C31H35N3O4.
What is the molecular weight of 3X-0868?
The molecular weight of 3X-0868 is 513.26 g/mol.
Where can I buy 3X-0868?
You can request a quote for 3X-0868 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3X-0868?
Yes, KEHONG BIO provides custom synthesis services for 3X-0868 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.