RefChem:1053406
TL;DR: RefChem:1053406 (CAS 39723-63-2) is a chemical compound with molecular formula C27H29N3O10S2 and molecular weight 619.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11Z,15Z)-5-methyl-1,5,9-triazabicyclo[7.4.4]heptadeca-11,15-diene-10,13,14,17-tetrone;3-phenylbenzene-1,2-disulfonic acid
Also Known As: 1,5,9-Triazabicyclo(7.4.4)heptadeca-11,15-diene-10,13,14,17-tetrone, 5-methyl-, (Z,Z)-, (1,1'-biphenyl)-ar,ar'-disulfonate, (11Z,15Z)-5-methyl-1,5,9-triazabicyclo[7.4.4]heptadeca-11,15-diene-10,13,14,17-tetrone; 3-phenylbenzene-1,2-disulfonic acid, RefChem:1053406
| Molecular Formula | C27H29N3O10S2 |
|---|---|
| Molecular Weight | 619.13 g/mol |
| LogP | 1.3954 |
| Topological Polar Surface Area | 186.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 619.12946 |
| Heavy Atoms | 42 |
| Complexity | 1551.1077 |
Chemical Identifiers
| CAS Number | 39723-63-2 |
|---|---|
| SMILES | CN1CCCN2C(=O)/C=C\C(=O)N(C(=O)/C=C\C2=O)CCC1.C1=CC=C(C=C1)C2=C(C(=CC=C2)S(=O)(=O)O)S(=O)(=O)O |
Product Overview
RefChem:1053406 (CAS 39723-63-2), with molecular formula C27H29N3O10S2 and molecular weight 619.13 g/mol. IUPAC: (11Z,15Z)-5-methyl-1,5,9-triazabicyclo[7.4.4]heptadeca-11,15-diene-10,13,14,17-tetrone;3-phenylbenzene-1,2-disulfonic acid.
Chemical Property Profile of RefChem:1053406
Property Insights of RefChem:1053406
The XLogP value of 1.3954 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1053406. The TPSA of 186.74 Ų indicates high polarity, suggesting RefChem:1053406 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1053406 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1053406?
The CAS number of RefChem:1053406 is 39723-63-2.
What is the molecular formula of RefChem:1053406?
The molecular formula of RefChem:1053406 is C27H29N3O10S2.
What is the molecular weight of RefChem:1053406?
The molecular weight of RefChem:1053406 is 619.13 g/mol.
Where can I buy RefChem:1053406?
You can request a quote for RefChem:1053406 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1053406?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1053406 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.