RefChem:332785
TL;DR: RefChem:332785 (CAS 50309-48-3) is a chemical compound with molecular formula C28H30Br2N6O3S2 and molecular weight 720.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-ethyl-2,4,6-trioxo-5-phenyl-3-[(N'-phenylcarbamimidoyl)sulfanylmethyl]-1,3-diazinan-1-yl]methyl N'-phenylcarbamimidothioate;dihydrobromide
Also Known As: 1,3-Bis(N-phenyl-2-isothioureidomethyl)-5-ethyl-5-phenylbarbituric acid dihydrobromide, Carbamimidothioic acid, phenyl-, (5-ethyldihydro-2,4,6-trioxo-5-phenyl-1,3(2H,4H)-pyrimidinediyl)bis(methylene)ester, dihydrobromide, (5-Ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinane-1,3-diyl)bis(methylene) bis(N'-phenylcarbamimidothioate)--hydrogen bromide (1/2), [5-ethyl-2,4,6-trioxo-5-phenyl-3-[(N'-phenylcarbamimidoyl)sulfanylmethyl]-1,3-diazinan-1-yl]methyl N'-phenylcarbamimidothioate dihydrobromide, RefChem:332785
| Molecular Formula | C28H30Br2N6O3S2 |
|---|---|
| Molecular Weight | 720.02 g/mol |
| LogP | 5.9552 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 720.01874 |
| Heavy Atoms | 41 |
| Complexity | 880.0 |
Chemical Identifiers
| CAS Number | 50309-48-3 |
|---|---|
| SMILES | CCC1(C(=O)N(C(=O)N(C1=O)CSC(=NC2=CC=CC=C2)N)CSC(=NC3=CC=CC=C3)N)C4=CC=CC=C4.Br.Br |
| InChIKey | CTMPELUTKHGEDL-UHFFFAOYSA-N |
Product Overview
RefChem:332785 (CAS 50309-48-3), with molecular formula C28H30Br2N6O3S2 and molecular weight 720.02 g/mol. IUPAC: [5-ethyl-2,4,6-trioxo-5-phenyl-3-[(N'-phenylcarbamimidoyl)sulfanylmethyl]-1,3-diazinan-1-yl]methyl N'-phenylcarbamimidothioate;dihydrobromide.
Chemical Property Profile of RefChem:332785
Property Insights of RefChem:332785
The XLogP value of 5.9552 indicates that RefChem:332785 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 185.0 Ų indicates high polarity, suggesting RefChem:332785 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:332785 has 4 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:332785?
The CAS number of RefChem:332785 is 50309-48-3.
What is the molecular formula of RefChem:332785?
The molecular formula of RefChem:332785 is C28H30Br2N6O3S2.
What is the molecular weight of RefChem:332785?
The molecular weight of RefChem:332785 is 720.02 g/mol.
Where can I buy RefChem:332785?
You can request a quote for RefChem:332785 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:332785?
Yes, KEHONG BIO provides custom synthesis services for RefChem:332785 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.