Moducrin
TL;DR: Moducrin (CAS 73788-01-9) is a chemical compound with molecular formula C30H43Cl3N14O12S3-2 and molecular weight 992.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioate;(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol;6-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide;3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride
Also Known As: Moducrin, Moducren, Amiloride mixture with hydrochlorothiazide and timolol maleate, (Z)-but-2-enedioate;(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol;6-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide;3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride, Pyrazinecarboxamide, 3,5-diamino-N-(aminoiminomethyl)-6-chloro-, monohydrochloride, mixt. with 6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-fulfonamide 1,1-dioxide and (S)-1-((1,1-dimethylethyl)amino)-3-((4-(4-morpholinyl)-1,2,5-thiadiazol-3yl)oxy)-2-propanol (Z)-2-butenedioate (1:1) salt
| Molecular Formula | C30H43Cl3N14O12S3-2 |
|---|---|
| Molecular Weight | 992.14 g/mol |
| LogP | -3.6766 |
| Topological Polar Surface Area | 437.65 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 10 |
| Exact Mass | 992.14124 |
| Heavy Atoms | 62 |
| Complexity | 2289.7786 |
Chemical Identifiers
| CAS Number | 73788-01-9 |
|---|---|
| SMILES | CC(C)(C)NC[C@@H](COC1=NSN=C1N2CCOCC2)O.C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl.C(=C\C(=O)[O-])\C(=O)[O-].C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N.Cl |
Product Overview
Moducrin (CAS 73788-01-9), with molecular formula C30H43Cl3N14O12S3-2 and molecular weight 992.14 g/mol. IUPAC: (Z)-but-2-enedioate;(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol;6-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide;3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride.
Chemical Property Profile of Moducrin
Property Insights of Moducrin
The XLogP value of -3.6766 indicates that Moducrin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 437.65 Ų indicates high polarity, suggesting Moducrin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Moducrin has 9 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Moducrin?
The CAS number of Moducrin is 73788-01-9.
What is the molecular formula of Moducrin?
The molecular formula of Moducrin is C30H43Cl3N14O12S3-2.
What is the molecular weight of Moducrin?
The molecular weight of Moducrin is 992.14 g/mol.
Where can I buy Moducrin?
You can request a quote for Moducrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Moducrin?
Yes, KEHONG BIO provides custom synthesis services for Moducrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.