Modithromycin
TL;DR: Modithromycin (CAS 736992-12-4) is a chemical compound with molecular formula C43H64N6O11 and molecular weight 840.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(1R,2R,3R,6R,8R,9R,10R,13E,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-13-[(6-pyrazol-1-yl-3-pyridinyl)methoxyimino]-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]acetamide
Also Known As: Modithromycin, Modithromycine, Moditromicina, Edp 420, Modithromycin [INN]
| Molecular Formula | C43H64N6O11 |
|---|---|
| Molecular Weight | 840.46 g/mol |
| LogP | 3.7027 |
| Topological Polar Surface Area | 205.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 840.4633 |
| Heavy Atoms | 60 |
| Complexity | 1835.9857 |
Chemical Identifiers
| CAS Number | 736992-12-4 |
|---|---|
| SMILES | CC[C@@H]1[C@@]([C@H]2[C@H](C(=NC(=O)C)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(OC/C(=N/OCC4=CN=C(C=C4)N5C=CC=N5)/CO2)C)C)C)(C)O |
Product Overview
Modithromycin (CAS 736992-12-4), with molecular formula C43H64N6O11 and molecular weight 840.46 g/mol. IUPAC: N-[(1R,2R,3R,6R,8R,9R,10R,13E,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-13-[(6-pyrazol-1-yl-3-pyridinyl)methoxyimino]-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]acetamide.
Chemical Property Profile of Modithromycin
Property Insights of Modithromycin
The XLogP value of 3.7027 indicates that Modithromycin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 205.72 Ų indicates high polarity, suggesting Modithromycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Modithromycin has 2 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Modithromycin?
The CAS number of Modithromycin is 736992-12-4.
What is the molecular formula of Modithromycin?
The molecular formula of Modithromycin is C43H64N6O11.
What is the molecular weight of Modithromycin?
The molecular weight of Modithromycin is 840.46 g/mol.
Where can I buy Modithromycin?
You can request a quote for Modithromycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Modithromycin?
Yes, KEHONG BIO provides custom synthesis services for Modithromycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.