Azepan-2-one;butane-1,4-diol;hexanedioic acid
TL;DR: Azepan-2-one;butane-1,4-diol;hexanedioic acid (CAS 61256-56-2) is a chemical compound with molecular formula C16H31NO7 and molecular weight 349.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-2-one;butane-1,4-diol;hexanedioic acid
Also Known As: azepan-2-one; butane-1,4-diol; hexanedioic acid, (C6-H11-N-O.C6-H10-O4.C4-H10-O2)x-, Hexanedioic acid, polymer with 1,4-butanediol and hexahydro-2H-azepin-2-one
| Molecular Formula | C16H31NO7 |
|---|---|
| Molecular Weight | 349.21 g/mol |
| LogP | 1.1438 |
| Topological Polar Surface Area | 144.16 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 349.21005 |
| Heavy Atoms | 24 |
| Complexity | 304.3876 |
Chemical Identifiers
| CAS Number | 61256-56-2 |
|---|---|
| SMILES | C1CCC(=O)NCC1.C(CCC(=O)O)CC(=O)O.C(CCO)CO |
Product Overview
Azepan-2-one;butane-1,4-diol;hexanedioic acid (CAS 61256-56-2), with molecular formula C16H31NO7 and molecular weight 349.21 g/mol. IUPAC: azepan-2-one;butane-1,4-diol;hexanedioic acid.
Chemical Property Profile of Azepan-2-one;butane-1,4-diol;hexanedioic acid
Property Insights of Azepan-2-one;butane-1,4-diol;hexanedioic acid
The XLogP value of 1.1438 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Azepan-2-one;butane-1,4-diol;hexanedioic acid. The TPSA of 144.16 Ų indicates high polarity, suggesting Azepan-2-one;butane-1,4-diol;hexanedioic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Azepan-2-one;butane-1,4-diol;hexanedioic acid has 5 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Azepan-2-one;butane-1,4-diol;hexanedioic acid?
The CAS number of Azepan-2-one;butane-1,4-diol;hexanedioic acid is 61256-56-2.
What is the molecular formula of Azepan-2-one;butane-1,4-diol;hexanedioic acid?
The molecular formula of Azepan-2-one;butane-1,4-diol;hexanedioic acid is C16H31NO7.
What is the molecular weight of Azepan-2-one;butane-1,4-diol;hexanedioic acid?
The molecular weight of Azepan-2-one;butane-1,4-diol;hexanedioic acid is 349.21 g/mol.
Where can I buy Azepan-2-one;butane-1,4-diol;hexanedioic acid?
You can request a quote for Azepan-2-one;butane-1,4-diol;hexanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azepan-2-one;butane-1,4-diol;hexanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for Azepan-2-one;butane-1,4-diol;hexanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.