Dihydronovobiocin calcium salt
TL;DR: Dihydronovobiocin calcium salt (CAS 65122-24-9) is a chemical compound with molecular formula C62H72CaN4O22-2 and molecular weight 1264.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(7-[(2S,3R,4S,5R)-4-carbamoyloxy-5-methoxy-6,6-dimethyl-3-oxidooxan-2-yl]oxy-3-[[4-hydroxy-3-(3-methylbutyl)benzoyl]amino]-8-methyl-2-oxochromen-4-olate)
Also Known As: Dihydronovobiocin calcium salt, Novobiocin, dihydro-, calcium salt, Dihydronovobiocin, acid calcium salt, U-7700, calcium 7-[(2s,3r,4s,5r)-4-carbamoyloxy-5-methoxy-6,6-dimethyl-3-oxido-tetrahydropyran-2-yl]oxy-3-[(4-hydroxy-3-isopentyl-benzoyl)amino]-8-methyl-4-oxo-chromen-2-olate
| Molecular Formula | C62H72CaN4O22-2 |
|---|---|
| Molecular Weight | 1264.43 g/mol |
| LogP | 4.51 |
| Topological Polar Surface Area | 404.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 20 |
| Exact Mass | 1264.4264 |
| Heavy Atoms | 89 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 65122-24-9 |
|---|---|
| SMILES | CC1=C(C=CC2=C1OC(=O)C(=C2[O-])NC(=O)C3=CC(=C(C=C3)O)CCC(C)C)O[C@@H]4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)OC(=O)N)[O-].CC1=C(C=CC2=C1OC(=O)C(=C2[O-])NC(=O)C3=CC(=C(C=C3)O)CCC(C)C)O[C@@H]4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)OC(=O)N)[O-].[Ca+2] |
| InChIKey | ZHLWDAXQOJUAPJ-QPROXTKISA-L |
Product Overview
Dihydronovobiocin calcium salt (CAS 65122-24-9), with molecular formula C62H72CaN4O22-2 and molecular weight 1264.43 g/mol. IUPAC: calcium bis(7-[(2S,3R,4S,5R)-4-carbamoyloxy-5-methoxy-6,6-dimethyl-3-oxidooxan-2-yl]oxy-3-[[4-hydroxy-3-(3-methylbutyl)benzoyl]amino]-8-methyl-2-oxochromen-4-olate).
Chemical Property Profile of Dihydronovobiocin calcium salt
Property Insights of Dihydronovobiocin calcium salt
The XLogP value of 4.51 indicates that Dihydronovobiocin calcium salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 404.0 Ų indicates high polarity, suggesting Dihydronovobiocin calcium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dihydronovobiocin calcium salt has 6 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dihydronovobiocin calcium salt?
The CAS number of Dihydronovobiocin calcium salt is 65122-24-9.
What is the molecular formula of Dihydronovobiocin calcium salt?
The molecular formula of Dihydronovobiocin calcium salt is C62H72CaN4O22-2.
What is the molecular weight of Dihydronovobiocin calcium salt?
The molecular weight of Dihydronovobiocin calcium salt is 1264.43 g/mol.
Where can I buy Dihydronovobiocin calcium salt?
You can request a quote for Dihydronovobiocin calcium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydronovobiocin calcium salt?
Yes, KEHONG BIO provides custom synthesis services for Dihydronovobiocin calcium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.