PRADIMICIN ANALOG
TL;DR: PRADIMICIN ANALOG (CAS 148677-12-7) is a chemical compound with molecular formula C37H40N2O16 and molecular weight 768.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,6S)-1,6,9,14-tetrahydroxy-5-[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxamide
Also Known As: PRADIMICIN ANALOG, Benzo(a)naphthacene-2-carboxamide, 5-((4,6-dideoxy-4-(methylamino)-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-, (5S-trans)-, (10S,11S)-2,5,11,17-tetrahydroxy-10-{[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-19-methoxy-7-methyl-15,22-dioxopentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),2,4,6,8,12,16,18,20-nonaene-6-carboxamide, (5S)-5alpha-[(4-Methylamino-3-O-beta-D-xylopyranosyl-4,6-dideoxy-beta-D-galactopyranosyl)oxy]-5,6,8,13-tetrahydro-1,6beta,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo[a]naphthacene-2-carboxamide, (5S,6S)-1,6,9,14-tetrahydroxy-5-[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxamide
| Molecular Formula | C37H40N2O16 |
|---|---|
| Molecular Weight | 768.24 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 297.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 7 |
| Exact Mass | 768.2378 |
| Heavy Atoms | 55 |
| Complexity | 1440.0 |
Chemical Identifiers
| CAS Number | 148677-12-7 |
|---|---|
| SMILES | C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)N)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)NC |
| InChIKey | RLJOHMRQKZUCBC-KTAYBSJASA-N |
Product Overview
PRADIMICIN ANALOG (CAS 148677-12-7), with molecular formula C37H40N2O16 and molecular weight 768.24 g/mol. IUPAC: (5S,6S)-1,6,9,14-tetrahydroxy-5-[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxamide.
Chemical Property Profile of PRADIMICIN ANALOG
Property Insights of PRADIMICIN ANALOG
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PRADIMICIN ANALOG. The TPSA of 297.0 Ų indicates high polarity, suggesting PRADIMICIN ANALOG may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, PRADIMICIN ANALOG has 10 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of PRADIMICIN ANALOG?
The CAS number of PRADIMICIN ANALOG is 148677-12-7.
What is the molecular formula of PRADIMICIN ANALOG?
The molecular formula of PRADIMICIN ANALOG is C37H40N2O16.
What is the molecular weight of PRADIMICIN ANALOG?
The molecular weight of PRADIMICIN ANALOG is 768.24 g/mol.
Where can I buy PRADIMICIN ANALOG?
You can request a quote for PRADIMICIN ANALOG directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PRADIMICIN ANALOG?
Yes, KEHONG BIO provides custom synthesis services for PRADIMICIN ANALOG and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.