6-Deoxyerythromycin A
TL;DR: 6-Deoxyerythromycin A (CAS 15718-46-4) is a chemical compound with molecular formula C37H67NO12 and molecular weight 717.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4S,5R,6S,7S,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
Also Known As: 6-Deoxyerythromycin A, KST-1A1744, 1H-1,2-DIAZEPINE-1-CARBOXYLIC ACID METHYL ESTER, (3R,4S,5R,6S,7S,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione, (3r,4s,5r,6s,7s,9r,11r,12r,13s,14r)-6-{[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}-14-ethyl-12,13-dihydroxy-4-{[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2h-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione(non-preferred name)
| Molecular Formula | C37H67NO12 |
|---|---|
| Molecular Weight | 717.47 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 717.4663 |
| Heavy Atoms | 50 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 15718-46-4 |
|---|---|
| SMILES | CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)C)C)C)O)(C)O |
| InChIKey | ZUGIGWIPEYNYJV-FZWPAWTOSA-N |
Product Overview
6-Deoxyerythromycin A (CAS 15718-46-4), with molecular formula C37H67NO12 and molecular weight 717.47 g/mol. IUPAC: (3R,4S,5R,6S,7S,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione.
Chemical Property Profile of 6-Deoxyerythromycin A
Property Insights of 6-Deoxyerythromycin A
The XLogP value of 3.9 indicates that 6-Deoxyerythromycin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 174.0 Ų indicates high polarity, suggesting 6-Deoxyerythromycin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-Deoxyerythromycin A has 4 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 6-Deoxyerythromycin A?
The CAS number of 6-Deoxyerythromycin A is 15718-46-4.
What is the molecular formula of 6-Deoxyerythromycin A?
The molecular formula of 6-Deoxyerythromycin A is C37H67NO12.
What is the molecular weight of 6-Deoxyerythromycin A?
The molecular weight of 6-Deoxyerythromycin A is 717.47 g/mol.
Where can I buy 6-Deoxyerythromycin A?
You can request a quote for 6-Deoxyerythromycin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Deoxyerythromycin A?
Yes, KEHONG BIO provides custom synthesis services for 6-Deoxyerythromycin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.