RefChem:1087501
TL;DR: RefChem:1087501 (CAS 101652-07-7) is a chemical compound with molecular formula C16H19Cl2N5O7S and molecular weight 495.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6,7-dichloro-2,4-dioxobenzo[g]pteridin-10-yl)propyl-(2-hydroxyethyl)-methylazanium;hydrogen sulfate
Also Known As: Isoalloxazine, 6,7-dichloro-10-(3-(N-(2-hydroxyethyl)methylamino)propyl)-, sulfate, 6,7-Dichloro-10-(3-(N-(2-hydroxyethyl)methylamino)propyl)isoalloxazine sulfate, 3-(6,7-dichloro-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-n-(2-hydroxyethyl)-n-methylpropan-1-aminium hydrogen sulfate, 3-(6,7-dichloro-2,4-dioxobenzo[g]pteridin-10-yl)propyl-(2-hydroxyethyl)-methylazanium; hydrogen sulfate, RefChem:1087501
| Molecular Formula | C16H19Cl2N5O7S |
|---|---|
| Molecular Weight | 495.04 g/mol |
| LogP | -1.21 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 495.03824 |
| Heavy Atoms | 31 |
| Complexity | 717.0 |
Chemical Identifiers
| CAS Number | 101652-07-7 |
|---|---|
| SMILES | C[NH+](CCCN1C2=C(C(=C(C=C2)Cl)Cl)N=C3C1=NC(=O)NC3=O)CCO.OS(=O)(=O)[O-] |
| InChIKey | PYXBEZZMJJKCSX-UHFFFAOYSA-N |
Product Overview
RefChem:1087501 (CAS 101652-07-7), with molecular formula C16H19Cl2N5O7S and molecular weight 495.04 g/mol. IUPAC: 3-(6,7-dichloro-2,4-dioxobenzo[g]pteridin-10-yl)propyl-(2-hydroxyethyl)-methylazanium;hydrogen sulfate.
Chemical Property Profile of RefChem:1087501
Property Insights of RefChem:1087501
The XLogP value of -1.21 indicates that RefChem:1087501 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 185.0 Ų indicates high polarity, suggesting RefChem:1087501 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1087501 has 4 hydrogen bond donor(s) and 8 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:1087501?
The CAS number of RefChem:1087501 is 101652-07-7.
What is the molecular formula of RefChem:1087501?
The molecular formula of RefChem:1087501 is C16H19Cl2N5O7S.
What is the molecular weight of RefChem:1087501?
The molecular weight of RefChem:1087501 is 495.04 g/mol.
Where can I buy RefChem:1087501?
You can request a quote for RefChem:1087501 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1087501?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1087501 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.