Hydrochlorothiazide-spironolactone
TL;DR: Hydrochlorothiazide-spironolactone (CAS 65272-36-8) is a chemical compound with molecular formula C31H42ClN3O9S3 and molecular weight 731.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(7R,8R,9S,10R,13S,14S)-7-acetylsulfanyl-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid;6-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
Also Known As: Hydrochlorothiazide-spironolactone, 3-[(7r,8r,9s,10r,13s,14s)-7-(acetylsulfanyl)-17-hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]propanoic acid- 6-chloro-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide(1:1)(non-preferred name), 3-[(7R,8R,9S,10R,13S,14S)-7-acetylsulfanyl-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid; 6-chloro-1,1-dioxo-3,4-dihydro-2H-1, Pregn-4-ene-21-carboxylic acid, 7-(acetylthio)-17-hydroxy-3-oxo-, gamma-lactone, (7alpha,17alpha)-, mixt. with 6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
| Molecular Formula | C31H42ClN3O9S3 |
|---|---|
| Molecular Weight | 731.18 g/mol |
| LogP | 4.0211 |
| Topological Polar Surface Area | 252.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 731.1772 |
| Heavy Atoms | 47 |
| Complexity | 1300.0 |
Chemical Identifiers
| CAS Number | 65272-36-8 |
|---|---|
| SMILES | CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CCC([C@]4(CC3)C)(CCC(=O)O)O)C.C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl |
| InChIKey | HZUBVQHCBSMTIH-ATJCWOKCSA-N |
Product Overview
Hydrochlorothiazide-spironolactone (CAS 65272-36-8), with molecular formula C31H42ClN3O9S3 and molecular weight 731.18 g/mol. IUPAC: 3-[(7R,8R,9S,10R,13S,14S)-7-acetylsulfanyl-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid;6-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide.
Chemical Property Profile of Hydrochlorothiazide-spironolactone
Property Insights of Hydrochlorothiazide-spironolactone
The XLogP value of 4.0211 indicates that Hydrochlorothiazide-spironolactone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 252.0 Ų indicates high polarity, suggesting Hydrochlorothiazide-spironolactone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hydrochlorothiazide-spironolactone has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hydrochlorothiazide-spironolactone?
The CAS number of Hydrochlorothiazide-spironolactone is 65272-36-8.
What is the molecular formula of Hydrochlorothiazide-spironolactone?
The molecular formula of Hydrochlorothiazide-spironolactone is C31H42ClN3O9S3.
What is the molecular weight of Hydrochlorothiazide-spironolactone?
The molecular weight of Hydrochlorothiazide-spironolactone is 731.18 g/mol.
Where can I buy Hydrochlorothiazide-spironolactone?
You can request a quote for Hydrochlorothiazide-spironolactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydrochlorothiazide-spironolactone?
Yes, KEHONG BIO provides custom synthesis services for Hydrochlorothiazide-spironolactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.