X63VS6M6TK
TL;DR: X63VS6M6TK (CAS 386251-89-4) is a chemical compound with molecular formula C36H52N10O4 and molecular weight 688.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N,4-N-bis[5-[(3-amino-3-methyliminopropyl)carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]benzene-1,4-dicarboxamide
Also Known As: J1.706.310C, 1,4-Benzenedicarboxamide, N,N'-bis(5-(((3-imino-3-(methylamino)propyl)amino)carbonyl)-1-(3-methylbutyl)-1H-pyrrol-3-yl)-, 1,4-Benzenedicarboxamide, N1,N4-bis(5-(((3-imino-3-(methylamino)propyl)amino)carbonyl)-1-(3-methylbutyl)-1H-pyrrol-3-yl)-, N,N'-Bis-(1-(3-methyl-butyl)-5-(2-(N-methylcarbamimidoyl)-ethylcarbamoyl)-1H-pyrrol-3-yl)-terephthalamide, N1,N4-Bis(1-(3-methylbutyl)-5-((2-((Z)-N'-methylcarbamimidoyl)ethyl)carbamoyl)-1H-pyrrol-3-yl)benzene-1,4-dicarboxamide
| Molecular Formula | C36H52N10O4 |
|---|---|
| Molecular Weight | 688.42 g/mol |
| LogP | 4.1002 |
| Topological Polar Surface Area | 203.02 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 18 |
| Exact Mass | 688.4173 |
| Heavy Atoms | 50 |
| Complexity | 1559.3307 |
Chemical Identifiers
| CAS Number | 386251-89-4 |
|---|---|
| SMILES | CC(C)CCN1C=C(C=C1C(=O)NCCC(=NC)N)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=NC)N)CCC(C)C |
Product Overview
X63VS6M6TK (CAS 386251-89-4), with molecular formula C36H52N10O4 and molecular weight 688.42 g/mol. IUPAC: 1-N,4-N-bis[5-[(3-amino-3-methyliminopropyl)carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]benzene-1,4-dicarboxamide.
Chemical Property Profile of X63VS6M6TK
Property Insights of X63VS6M6TK
The XLogP value of 4.1002 indicates that X63VS6M6TK is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 203.02 Ų indicates high polarity, suggesting X63VS6M6TK may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, X63VS6M6TK has 6 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 X63VS6M6TK?
The CAS number of X63VS6M6TK is 386251-89-4.
What is the molecular formula of X63VS6M6TK?
The molecular formula of X63VS6M6TK is C36H52N10O4.
What is the molecular weight of X63VS6M6TK?
The molecular weight of X63VS6M6TK is 688.42 g/mol.
Where can I buy X63VS6M6TK?
You can request a quote for X63VS6M6TK directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for X63VS6M6TK?
Yes, KEHONG BIO provides custom synthesis services for X63VS6M6TK and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.