9-Dihydroclarithromycin
TL;DR: 9-Dihydroclarithromycin (CAS 131791-18-9) is a chemical compound with molecular formula C38H71NO13 and molecular weight 749.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-10,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
Also Known As: 9-Dihydroclarithromycin, Erythromycin, 9-deoxo-9-hydroxy-6-D-methyl-, (9S)-, (3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-10,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one, (3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-10,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-, (3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLOXAN-2-YL]OXY}-14-ETHYL-10,12,13-TRIHYDROXY-4-{[(2R,4R,5S,6S)-5-HYDROXY-4-METHOXY-4,6-DIMETHYLOXAN-2-YL]OXY}-7-METHOXY-3,5,7,9,11,13-HEXAMETHYL-1-OXACYCLOTETRADECAN-2-ONE
| Molecular Formula | C38H71NO13 |
|---|---|
| Molecular Weight | 749.49 g/mol |
| LogP | 2.2315 |
| Topological Polar Surface Area | 186.07 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 749.49255 |
| Heavy Atoms | 52 |
| Complexity | 1144.2135 |
Chemical Identifiers
| CAS Number | 131791-18-9 |
|---|---|
| SMILES | CC[C@@H]1[C@@]([C@@H]([C@H]([C@H]([C@@H](C[C@@]([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)OC)C)O)C)O)(C)O |
Product Overview
9-Dihydroclarithromycin (CAS 131791-18-9), with molecular formula C38H71NO13 and molecular weight 749.49 g/mol. IUPAC: (3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-10,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one.
Chemical Property Profile of 9-Dihydroclarithromycin
Property Insights of 9-Dihydroclarithromycin
The XLogP value of 2.2315 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Dihydroclarithromycin. The TPSA of 186.07 Ų indicates high polarity, suggesting 9-Dihydroclarithromycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9-Dihydroclarithromycin has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-Dihydroclarithromycin?
The CAS number of 9-Dihydroclarithromycin is 131791-18-9.
What is the molecular formula of 9-Dihydroclarithromycin?
The molecular formula of 9-Dihydroclarithromycin is C38H71NO13.
What is the molecular weight of 9-Dihydroclarithromycin?
The molecular weight of 9-Dihydroclarithromycin is 749.49 g/mol.
Where can I buy 9-Dihydroclarithromycin?
You can request a quote for 9-Dihydroclarithromycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Dihydroclarithromycin?
Yes, KEHONG BIO provides custom synthesis services for 9-Dihydroclarithromycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.