3X-0877
TL;DR: 3X-0877 (CAS 865660-37-3) is a chemical compound with molecular formula C30H35N3O4 and molecular weight 501.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-benzylpiperidin-1-yl)methyl]-3-[(2-ethoxyphenyl)carbamoylamino]benzoate
Also Known As: 3X-0877, methyl 2-[(4-benzylpiperidino)methyl]-3-{[(2-ethoxyanilino)carbonyl]amino}benzenecarboxylate, methyl 2-[(4-benzylpiperidin-1-yl)methyl]-3-[(2-ethoxyphenyl)carbamoylamino]benzoate, methyl 2-[(4-benzylpiperidin-1-yl)methyl]-3-{[(2-ethoxyphenyl)carbamoyl]amino}benzoate, Methyl 2-[(4-benzyl-1-piperidyl)methyl]-3-[(2-ethoxyphenyl)carbamoylamino]benzoate
| Molecular Formula | C30H35N3O4 |
|---|---|
| Molecular Weight | 501.26 g/mol |
| LogP | 5.9706 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 501.26276 |
| Heavy Atoms | 37 |
| Complexity | 1190.4407 |
Chemical Identifiers
| CAS Number | 865660-37-3 |
|---|---|
| SMILES | CCOC1=CC=CC=C1NC(=O)NC2=CC=CC(=C2CN3CCC(CC3)CC4=CC=CC=C4)C(=O)OC |
Product Overview
3X-0877 (CAS 865660-37-3), with molecular formula C30H35N3O4 and molecular weight 501.26 g/mol. IUPAC: methyl 2-[(4-benzylpiperidin-1-yl)methyl]-3-[(2-ethoxyphenyl)carbamoylamino]benzoate.
Chemical Property Profile of 3X-0877
Property Insights of 3X-0877
The XLogP value of 5.9706 indicates that 3X-0877 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3X-0877. Following Lipinski's Rule of Five, 3X-0877 has 2 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-0877?
The CAS number of 3X-0877 is 865660-37-3.
What is the molecular formula of 3X-0877?
The molecular formula of 3X-0877 is C30H35N3O4.
What is the molecular weight of 3X-0877?
The molecular weight of 3X-0877 is 501.26 g/mol.
Where can I buy 3X-0877?
You can request a quote for 3X-0877 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3X-0877?
Yes, KEHONG BIO provides custom synthesis services for 3X-0877 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.