N,N-Didemethyl-1-deoxypyrromycin
TL;DR: N,N-Didemethyl-1-deoxypyrromycin (CAS 67508-85-4) is a chemical compound with molecular formula C28H31NO10 and molecular weight 541.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Also Known As: Antibiotic MA 144KH, N,N-Didemethyl-1-deoxypyrromycin, N-Demethyl-1-deoxypyrromycin, N-Monodemethyl-1-deoxypyrromycin, D-788-17
| Molecular Formula | C28H31NO10 |
|---|---|
| Molecular Weight | 541.19 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 541.1948 |
| Heavy Atoms | 39 |
| Complexity | 976.0 |
Chemical Identifiers
| CAS Number | 67508-85-4 |
|---|---|
| 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)N)O |
| InChIKey | MCWLCHNOMBKWNJ-JXJKFGGBSA-N |
Product Overview
N,N-Didemethyl-1-deoxypyrromycin (CAS 67508-85-4), with molecular formula C28H31NO10 and molecular weight 541.19 g/mol. IUPAC: methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate.
Chemical Property Profile of N,N-Didemethyl-1-deoxypyrromycin
Property Insights of N,N-Didemethyl-1-deoxypyrromycin
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Didemethyl-1-deoxypyrromycin. The TPSA of 186.0 Ų indicates high polarity, suggesting N,N-Didemethyl-1-deoxypyrromycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N-Didemethyl-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,N-Didemethyl-1-deoxypyrromycin?
The CAS number of N,N-Didemethyl-1-deoxypyrromycin is 67508-85-4.
What is the molecular formula of N,N-Didemethyl-1-deoxypyrromycin?
The molecular formula of N,N-Didemethyl-1-deoxypyrromycin is C28H31NO10.
What is the molecular weight of N,N-Didemethyl-1-deoxypyrromycin?
The molecular weight of N,N-Didemethyl-1-deoxypyrromycin is 541.19 g/mol.
Where can I buy N,N-Didemethyl-1-deoxypyrromycin?
You can request a quote for N,N-Didemethyl-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,N-Didemethyl-1-deoxypyrromycin?
Yes, KEHONG BIO provides custom synthesis services for N,N-Didemethyl-1-deoxypyrromycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.