Diucomb
TL;DR: Diucomb (CAS 72745-76-7) is a chemical compound with molecular formula C27H27ClN10O4S2 and molecular weight 654.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-1,1-dioxo-3-(1-phenylethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide;6-phenylpteridine-2,4,7-triamine
Also Known As: Diucomb, Hypertane, Bemetizide mixture with triamterene., 6-chloro-1,1-dioxo-3-(1-phenylethyl)-3,4-dihydro-2H-1, 6-chloro-3-(1-phenylethyl)-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide- 6-phenylpteridine-2,4,7-triamine(1:1)
| Molecular Formula | C27H27ClN10O4S2 |
|---|---|
| Molecular Weight | 654.13 g/mol |
| LogP | 2.6544 |
| Topological Polar Surface Area | 265.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 4 |
| Exact Mass | 654.13464 |
| Heavy Atoms | 44 |
| Complexity | 989.0 |
Chemical Identifiers
| CAS Number | 72745-76-7 |
|---|---|
| SMILES | CC(C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl)C3=CC=CC=C3.C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N |
| InChIKey | PPEIWEFBEQYYSC-UHFFFAOYSA-N |
Product Overview
Diucomb (CAS 72745-76-7), with molecular formula C27H27ClN10O4S2 and molecular weight 654.13 g/mol. IUPAC: 6-chloro-1,1-dioxo-3-(1-phenylethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide;6-phenylpteridine-2,4,7-triamine.
Chemical Property Profile of Diucomb
Property Insights of Diucomb
The XLogP value of 2.6544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diucomb. The TPSA of 265.0 Ų indicates high polarity, suggesting Diucomb may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diucomb has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diucomb?
The CAS number of Diucomb is 72745-76-7.
What is the molecular formula of Diucomb?
The molecular formula of Diucomb is C27H27ClN10O4S2.
What is the molecular weight of Diucomb?
The molecular weight of Diucomb is 654.13 g/mol.
Where can I buy Diucomb?
You can request a quote for Diucomb directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diucomb?
Yes, KEHONG BIO provides custom synthesis services for Diucomb and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.