Neo Spiramycin I
TL;DR: Neo Spiramycin I (CAS 70253-62-2) is a chemical compound with molecular formula C36H62N2O11 and molecular weight 698.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4R,5S,6S,7R,9R,10R,16R)-6-[(2S,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
Also Known As: Neo Spiramycin I
| Molecular Formula | C36H62N2O11 |
|---|---|
| Molecular Weight | 698.44 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 698.43536 |
| Heavy Atoms | 49 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 70253-62-2 |
|---|---|
| SMILES | C[C@@H]1CC=CC=C[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CC=O)C)O[C@H]3CC[C@@H]([C@H](O3)C)N(C)C |
| InChIKey | SUBWVHAACKTENX-OMFXSZDXSA-N |
Product Overview
Neo Spiramycin I (CAS 70253-62-2), with molecular formula C36H62N2O11 and molecular weight 698.44 g/mol. IUPAC: 2-[(4R,5S,6S,7R,9R,10R,16R)-6-[(2S,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde.
Chemical Property Profile of Neo Spiramycin I
Property Insights of Neo Spiramycin I
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neo Spiramycin I. The TPSA of 157.0 Ų indicates high polarity, suggesting Neo Spiramycin I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Neo Spiramycin I has 3 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 Neo Spiramycin I?
The CAS number of Neo Spiramycin I is 70253-62-2.
What is the molecular formula of Neo Spiramycin I?
The molecular formula of Neo Spiramycin I is C36H62N2O11.
What is the molecular weight of Neo Spiramycin I?
The molecular weight of Neo Spiramycin I is 698.44 g/mol.
Where can I buy Neo Spiramycin I?
You can request a quote for Neo Spiramycin I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neo Spiramycin I?
Yes, KEHONG BIO provides custom synthesis services for Neo Spiramycin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.