Hmr 3787
TL;DR: Hmr 3787 (CAS 193752-39-5) is a chemical compound with molecular formula C41H62FN5O10 and molecular weight 803.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,5S,7R,8R,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-5-fluoro-15-(4-imidazo[4,5-b]pyridin-3-ylbutyl)-9-methoxy-1,5,7,9,11,13-hexamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone
Also Known As: Hmr 3787, (1R,2R,4R,6R,7R,8R,10S,13R,14S)-7-((2S,3R,4S,6R)-4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL)OXY-13-ETHYL-10-FLUORO-17-(4-IMIDAZO(4,5-B)PYRIDIN-3-YLBUTYL)-6-METHOXY-2,4,6,8,10,14-HEXAMETHYL-12,15-DIOXA-17-AZABICYCLO(12.3.0)HEPTADECANE-3,9,11,16-TETRONE, (1R,2R,4R,6R,7R,8R,10S,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-10-fluoro-17-(4-imidazo[4,5-b]pyridin-3-ylbutyl)-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone, 11-Deoxy-3-des(hexopyranosyloxy)-2-fluoro-11-[4-(3H-imidazo[4,5-b]pyridin-3-yl)butylamino]-6-O-methyl-3-oxoerythromycin A 11-N,12-O-cyclic carbamate, 2H-OXACYCLOTETRADECINO(4,3-D)OXAZOLE-2,6,8,14(1H,7H,9H)-TETRONE, 4-ETHYL-7-FLUOROOCTAHYDRO-1-(4-(3H-IMIDAZO(4,5-B)PYRIDIN-3-YL)BUTYL)-11-METHOXY-3A,7,9,11,13,15-HEXAMETHYL-10-((3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-.BETA.-D-XYLO-HEXOPYRANOSYL)OXY)-, (3AS,4R,7S,9R,10R,11R,13R,15R,15AR)-
| Molecular Formula | C41H62FN5O10 |
|---|---|
| Molecular Weight | 803.45 g/mol |
| LogP | 4.5075 |
| Topological Polar Surface Area | 171.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 803.44806 |
| Heavy Atoms | 57 |
| Complexity | 1773.5919 |
Chemical Identifiers
| CAS Number | 193752-39-5 |
|---|---|
| SMILES | CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@](C(=O)O1)(C)F)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCN4C=NC5=C4N=CC=C5)C |
Product Overview
Hmr 3787 (CAS 193752-39-5), with molecular formula C41H62FN5O10 and molecular weight 803.45 g/mol. IUPAC: (1S,2R,5S,7R,8R,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-5-fluoro-15-(4-imidazo[4,5-b]pyridin-3-ylbutyl)-9-methoxy-1,5,7,9,11,13-hexamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone.
Chemical Property Profile of Hmr 3787
Property Insights of Hmr 3787
The XLogP value of 4.5075 indicates that Hmr 3787 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 171.85 Ų indicates high polarity, suggesting Hmr 3787 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hmr 3787 has 1 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 Hmr 3787?
The CAS number of Hmr 3787 is 193752-39-5.
What is the molecular formula of Hmr 3787?
The molecular formula of Hmr 3787 is C41H62FN5O10.
What is the molecular weight of Hmr 3787?
The molecular weight of Hmr 3787 is 803.45 g/mol.
Where can I buy Hmr 3787?
You can request a quote for Hmr 3787 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hmr 3787?
Yes, KEHONG BIO provides custom synthesis services for Hmr 3787 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.