RefChem:1087502
TL;DR: RefChem:1087502 (CAS 101651-98-3) is a chemical compound with molecular formula C17H21Cl2N5O3 and molecular weight 413.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(7-chloro-2,4-dioxobenzo[g]pteridin-10-yl)propyl-ethyl-(2-hydroxyethyl)azanium chloride
Also Known As: Isoalloxazine, 7-chloro-10-(3-(N-ethyl-N-(2-hydroxyethyl)amino)propyl)-, hydrochloride, 7-Chloro-10-(3-(N-ethyl-N-(2-hydroxyethyl)amino)propyl)isoalloxazine hydrochloride, 3-(7-chloro-2,4-dioxobenzo[g]pteridin-10-yl)propyl-ethyl-(2-hydroxyethyl)azanium chloride, 3-(7-chloro-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-n-ethyl-n-(2-hydroxyethyl)propan-1-aminium chloride, RefChem:1087502
| Molecular Formula | C17H21Cl2N5O3 |
|---|---|
| Molecular Weight | 413.10 g/mol |
| LogP | -3.47 |
| Topological Polar Surface Area | 98.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.10214 |
| Heavy Atoms | 27 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 101651-98-3 |
|---|---|
| SMILES | CC[NH+](CCCN1C2=C(C=C(C=C2)Cl)N=C3C1=NC(=O)NC3=O)CCO.[Cl-] |
| InChIKey | LPZMYCBJKTYZBK-UHFFFAOYSA-N |
Product Overview
RefChem:1087502 (CAS 101651-98-3), with molecular formula C17H21Cl2N5O3 and molecular weight 413.10 g/mol. IUPAC: 3-(7-chloro-2,4-dioxobenzo[g]pteridin-10-yl)propyl-ethyl-(2-hydroxyethyl)azanium chloride.
Chemical Property Profile of RefChem:1087502
Property Insights of RefChem:1087502
The XLogP value of -3.47 indicates that RefChem:1087502 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1087502. Following Lipinski's Rule of Five, RefChem:1087502 has 3 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 RefChem:1087502?
The CAS number of RefChem:1087502 is 101651-98-3.
What is the molecular formula of RefChem:1087502?
The molecular formula of RefChem:1087502 is C17H21Cl2N5O3.
What is the molecular weight of RefChem:1087502?
The molecular weight of RefChem:1087502 is 413.10 g/mol.
Where can I buy RefChem:1087502?
You can request a quote for RefChem:1087502 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1087502?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1087502 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.