N-Monodemethyl-1-deoxypyrromycin
TL;DR: N-Monodemethyl-1-deoxypyrromycin (CAS 65222-75-5) is a chemical compound with molecular formula C29H33NO10 and molecular weight 555.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Also Known As: N-Monodemethyl-1-deoxypyrromycin, N-Demethyl-1-deoxypyrromycin, 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-ethyl-4-((2,3,6-trideoxy-3-amino-alpha-L-lyxo-hexopyranosyl)oxy)-2,5,7-trihydroxy-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-, (1R)-1,2,3,4,6,11-Hexahydro-4alpha-[[3-(methylamino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl]oxy]-6,11-dioxo-2-ethyl-2alpha,5,7-trihydroxy-1beta-naphthacenecarboxylic acid methyl ester, methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
| Molecular Formula | C29H33NO10 |
|---|---|
| Molecular Weight | 555.21 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 555.21045 |
| Heavy Atoms | 40 |
| Complexity | 992.0 |
Chemical Identifiers
| CAS Number | 65222-75-5 |
|---|---|
| SMILES | CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)NC)O |
| InChIKey | QLQYUKMHHYPNOK-YTGURXTNSA-N |
Product Overview
N-Monodemethyl-1-deoxypyrromycin (CAS 65222-75-5), with molecular formula C29H33NO10 and molecular weight 555.21 g/mol. IUPAC: methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate.
Chemical Property Profile of N-Monodemethyl-1-deoxypyrromycin
Property Insights of N-Monodemethyl-1-deoxypyrromycin
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Monodemethyl-1-deoxypyrromycin. The TPSA of 172.0 Ų indicates high polarity, suggesting N-Monodemethyl-1-deoxypyrromycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Monodemethyl-1-deoxypyrromycin has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Monodemethyl-1-deoxypyrromycin?
The CAS number of N-Monodemethyl-1-deoxypyrromycin is 65222-75-5.
What is the molecular formula of N-Monodemethyl-1-deoxypyrromycin?
The molecular formula of N-Monodemethyl-1-deoxypyrromycin is C29H33NO10.
What is the molecular weight of N-Monodemethyl-1-deoxypyrromycin?
The molecular weight of N-Monodemethyl-1-deoxypyrromycin is 555.21 g/mol.
Where can I buy N-Monodemethyl-1-deoxypyrromycin?
You can request a quote for N-Monodemethyl-1-deoxypyrromycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Monodemethyl-1-deoxypyrromycin?
Yes, KEHONG BIO provides custom synthesis services for N-Monodemethyl-1-deoxypyrromycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.