3X-0870
TL;DR: 3X-0870 (CAS 865660-35-1) is a chemical compound with molecular formula C34H43N3O3 and molecular weight 541.33 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-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]benzoate
Also Known As: 3X-0870, methyl 2-[(4-benzylpiperidino)methyl]-3-{[(2,6-diisopropylanilino)carbonyl]amino}benzenecarboxylate, methyl 2-[(4-benzylpiperidin-1-yl)methyl]-3-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]benzoate, methyl 2-[(4-benzylpiperidin-1-yl)methyl]-3-({[2,6-bis(propan-2-yl)phenyl]carbamoyl}amino)benzoate, Methyl 2-[(4-benzyl-1-piperidyl)methyl]-3-[(2,6-dipropan-2-ylphenyl)carbamoylamino]benzoate
| Molecular Formula | C34H43N3O3 |
|---|---|
| Molecular Weight | 541.33 g/mol |
| LogP | 7.8187 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 541.33044 |
| Heavy Atoms | 40 |
| Complexity | 1268.7891 |
Chemical Identifiers
| CAS Number | 865660-35-1 |
|---|---|
| SMILES | CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NC2=CC=CC(=C2CN3CCC(CC3)CC4=CC=CC=C4)C(=O)OC |
Product Overview
3X-0870 (CAS 865660-35-1), with molecular formula C34H43N3O3 and molecular weight 541.33 g/mol. IUPAC: methyl 2-[(4-benzylpiperidin-1-yl)methyl]-3-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]benzoate.
Chemical Property Profile of 3X-0870
Property Insights of 3X-0870
The XLogP value of 7.8187 indicates that 3X-0870 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3X-0870. Following Lipinski's Rule of Five, 3X-0870 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3X-0870?
The CAS number of 3X-0870 is 865660-35-1.
What is the molecular formula of 3X-0870?
The molecular formula of 3X-0870 is C34H43N3O3.
What is the molecular weight of 3X-0870?
The molecular weight of 3X-0870 is 541.33 g/mol.
Where can I buy 3X-0870?
You can request a quote for 3X-0870 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3X-0870?
Yes, KEHONG BIO provides custom synthesis services for 3X-0870 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.