6-(2-Phenoxyethoxy-6-deaminomitomycin C)
TL;DR: 6-(2-Phenoxyethoxy-6-deaminomitomycin C) (CAS 118598-87-1) is a chemical compound with molecular formula C23H25N3O7 and molecular weight 455.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4S,6S,7R,8S)-7-methoxy-12-methyl-10,13-dioxo-11-(2-phenoxyethoxy)-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Also Known As: 6-(2-Phenoxyethoxy-6-deaminomitomycin C), (1aS)-6-(2-Phenoxyethoxy)-8beta-[(aminocarbonyloxy)methyl]-1,1aalpha,2,8,8a,8balpha-hexahydro-8aalpha-methoxy-5-methylazirino[2 ,3 :3,4]pyrrolo[1,2-a]indole-4,7-dione, [(1aS,8S,8aR,8bS)-8a-Methoxy-5-methyl-4,7-dioxo-6-(2-phenoxyethoxy)-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate, [(4S,6S,7R,8S)-7-methoxy-12-methyl-10,13-dioxo-11-(2-phenoxyethoxy)-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate, [8a-Methoxy-5-methyl-4,7-dioxo-6-(2-phenoxyethoxy)-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate
| Molecular Formula | C23H25N3O7 |
|---|---|
| Molecular Weight | 455.17 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 455.16925 |
| Heavy Atoms | 33 |
| Complexity | 938.0 |
Chemical Identifiers
| CAS Number | 118598-87-1 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)OCCOC5=CC=CC=C5 |
| InChIKey | VMSOEFWICPVQKF-USYHLRJESA-N |
Product Overview
6-(2-Phenoxyethoxy-6-deaminomitomycin C) (CAS 118598-87-1), with molecular formula C23H25N3O7 and molecular weight 455.17 g/mol. IUPAC: [(4S,6S,7R,8S)-7-methoxy-12-methyl-10,13-dioxo-11-(2-phenoxyethoxy)-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate.
Chemical Property Profile of 6-(2-Phenoxyethoxy-6-deaminomitomycin C)
Property Insights of 6-(2-Phenoxyethoxy-6-deaminomitomycin C)
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(2-Phenoxyethoxy-6-deaminomitomycin C). The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(2-Phenoxyethoxy-6-deaminomitomycin C). Following Lipinski's Rule of Five, 6-(2-Phenoxyethoxy-6-deaminomitomycin C) has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-(2-Phenoxyethoxy-6-deaminomitomycin C)?
The CAS number of 6-(2-Phenoxyethoxy-6-deaminomitomycin C) is 118598-87-1.
What is the molecular formula of 6-(2-Phenoxyethoxy-6-deaminomitomycin C)?
The molecular formula of 6-(2-Phenoxyethoxy-6-deaminomitomycin C) is C23H25N3O7.
What is the molecular weight of 6-(2-Phenoxyethoxy-6-deaminomitomycin C)?
The molecular weight of 6-(2-Phenoxyethoxy-6-deaminomitomycin C) is 455.17 g/mol.
Where can I buy 6-(2-Phenoxyethoxy-6-deaminomitomycin C)?
You can request a quote for 6-(2-Phenoxyethoxy-6-deaminomitomycin C) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(2-Phenoxyethoxy-6-deaminomitomycin C)?
Yes, KEHONG BIO provides custom synthesis services for 6-(2-Phenoxyethoxy-6-deaminomitomycin C) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.