RefChem:1075510
TL;DR: RefChem:1075510 (CAS 130366-26-6) is a chemical compound with molecular formula C20H23Cl2N7O3S and molecular weight 511.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]acetamide
Also Known As: Acetic acid, ((2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)thio)-, ((4-(bis(2-chloroethyl)amino)phenyl)methylene)hydrazide, 1,3-Dimethylxanthin-8-ylthioaceto-N'-(p-N,N-di(2-chloroethyl)aminobenzylidene)hydrazide, RefChem:1075510, BRN 4773136
| Molecular Formula | C20H23Cl2N7O3S |
|---|---|
| Molecular Weight | 511.10 g/mol |
| LogP | 1.4867 |
| Topological Polar Surface Area | 117.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 511.096 |
| Heavy Atoms | 33 |
| Complexity | 1261.6295 |
Chemical Identifiers
| CAS Number | 130366-26-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC(=O)N/N=C/C3=CC=C(C=C3)N(CCCl)CCCl |
Product Overview
RefChem:1075510 (CAS 130366-26-6), with molecular formula C20H23Cl2N7O3S and molecular weight 511.10 g/mol. IUPAC: N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]acetamide.
Chemical Property Profile of RefChem:1075510
Property Insights of RefChem:1075510
The XLogP value of 1.4867 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1075510. The TPSA of 117.38 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1075510. Following Lipinski's Rule of Five, RefChem:1075510 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1075510?
The CAS number of RefChem:1075510 is 130366-26-6.
What is the molecular formula of RefChem:1075510?
The molecular formula of RefChem:1075510 is C20H23Cl2N7O3S.
What is the molecular weight of RefChem:1075510?
The molecular weight of RefChem:1075510 is 511.10 g/mol.
Where can I buy RefChem:1075510?
You can request a quote for RefChem:1075510 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075510?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075510 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.