6-Cyclopropyloxy-6-deaminomitomycin C
TL;DR: 6-Cyclopropyloxy-6-deaminomitomycin C (CAS 118598-78-0) is a chemical compound with molecular formula C18H21N3O6 and molecular weight 375.14304 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(4S,6S,7R,8S)-11-cyclopropyloxy-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Also Known As: 6-Cyclopropyloxy-6-deaminomitomycin C, (1aS)-6-Cyclopropyloxy-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)-6-(Cyclopropyloxy)-8a-methoxy-5-methyl-4,7-dioxo-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)-11-cyclopropoxy-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate, [6-(Cyclopropyloxy)-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate
Technical Specifications
| Molecular Formula | C18H21N3O6 |
| Molecular Weight | 375.14304 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.14304 Da |
| Heavy Atoms | 27 |
| Complexity | 844.0 |
| SMILES | CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)OC5CC5 |
| InChIKey | NJXODWXDDNVYKT-QJIICXBUSA-N |
Chemical Property Profile of 6-Cyclopropyloxy-6-deaminomitomycin C
Property Insights of 6-Cyclopropyloxy-6-deaminomitomycin C
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Cyclopropyloxy-6-deaminomitomycin C. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Cyclopropyloxy-6-deaminomitomycin C. Following Lipinski's Rule of Five, 6-Cyclopropyloxy-6-deaminomitomycin C has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-Cyclopropyloxy-6-deaminomitomycin C?
The CAS number of 6-Cyclopropyloxy-6-deaminomitomycin C is 118598-78-0.
What is the molecular formula of 6-Cyclopropyloxy-6-deaminomitomycin C?
The molecular formula of 6-Cyclopropyloxy-6-deaminomitomycin C is C18H21N3O6.
What is the molecular weight of 6-Cyclopropyloxy-6-deaminomitomycin C?
The molecular weight of 6-Cyclopropyloxy-6-deaminomitomycin C is 375.14304 g/mol.
Where can I buy 6-Cyclopropyloxy-6-deaminomitomycin C?
You can request a quote for 6-Cyclopropyloxy-6-deaminomitomycin C directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Cyclopropyloxy-6-deaminomitomycin C?
Yes, CoreyChem provides custom synthesis services for 6-Cyclopropyloxy-6-deaminomitomycin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.