RefChem:1072088
TL;DR: RefChem:1072088 (CAS 37046-69-8) is a chemical compound with molecular formula C20H19NO4 and molecular weight 337.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene;(E)-but-2-enedioic acid
Also Known As: 10,11-Dihydro-5,10-(iminomethano)-5H-dibenzo(a,d)cycloheptene hydrogen maleate, 5,10-(Iminomethano)-5H-dibenzo(a,d)cycloheptene, 10,11-dihydro-, (Z)-2-butenedioate (1:1), RefChem:1072088
| Molecular Formula | C20H19NO4 |
|---|---|
| Molecular Weight | 337.13 g/mol |
| LogP | 2.7307 |
| Topological Polar Surface Area | 86.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 337.1314 |
| Heavy Atoms | 25 |
| Complexity | 811.9508 |
Chemical Identifiers
| CAS Number | 37046-69-8 |
|---|---|
| SMILES | C1C2CNC(C3=CC=CC=C31)C4=CC=CC=C24.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1072088 (CAS 37046-69-8), with molecular formula C20H19NO4 and molecular weight 337.13 g/mol. IUPAC: 16-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene;(E)-but-2-enedioic acid.
Chemical Property Profile of RefChem:1072088
Property Insights of RefChem:1072088
The XLogP value of 2.7307 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1072088. The TPSA of 86.63 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1072088. Following Lipinski's Rule of Five, RefChem:1072088 has 3 hydrogen bond donor(s) and 3 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 RefChem:1072088?
The CAS number of RefChem:1072088 is 37046-69-8.
What is the molecular formula of RefChem:1072088?
The molecular formula of RefChem:1072088 is C20H19NO4.
What is the molecular weight of RefChem:1072088?
The molecular weight of RefChem:1072088 is 337.13 g/mol.
Where can I buy RefChem:1072088?
You can request a quote for RefChem:1072088 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1072088?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1072088 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.