Inh & SM
TL;DR: Inh & SM (CAS 52759-96-3) is a chemical compound with molecular formula C27H46N10O13 and molecular weight 718.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine;pyridine-4-carbohydrazide
Also Known As: INH & SM, Isoniazid & Streptomycin, 1-[(1S,2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)tetrahydropyran-2-yl]oxy-4-formyl-4-hydroxy-5-methyl-tetrahydrofuran-2-yl]oxy-5-guanidino-3,4,6-trihydroxy-cyclohexyl]guanidine; pyridine-4-carbohydrazide, 2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine; pyridine-4-carbohydrazide
| Molecular Formula | C27H46N10O13 |
|---|---|
| Molecular Weight | 718.32 g/mol |
| LogP | -8.476 |
| Topological Polar Surface Area | 404.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 10 |
| Exact Mass | 718.3246 |
| Heavy Atoms | 50 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 52759-96-3 |
|---|---|
| SMILES | C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(C=O)O.C1=CN=CC=C1C(=O)NN |
| InChIKey | XWQNZBWLMUPZHF-RMIBZTJPSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Inh & SM (CAS 52759-96-3), with molecular formula C27H46N10O13 and molecular weight 718.32 g/mol. IUPAC: 2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine;pyridine-4-carbohydrazide.
Chemical Property Profile of Inh & SM
Property Insights of Inh & SM
The XLogP value of -8.476 indicates that Inh & SM is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 404.0 Ų indicates high polarity, suggesting Inh & SM may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Inh & SM has 14 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Inh & SM?
The CAS number of Inh & SM is 52759-96-3.
What is the molecular formula of Inh & SM?
The molecular formula of Inh & SM is C27H46N10O13.
What is the molecular weight of Inh & SM?
The molecular weight of Inh & SM is 718.32 g/mol.
Where can I buy Inh & SM?
You can request a quote for Inh & SM directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Inh & SM?
Yes, KEHONG BIO provides custom synthesis services for Inh & SM and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.