7-Benzyloxy-7-demethoxymitomycin A
TL;DR: 7-Benzyloxy-7-demethoxymitomycin A (CAS 56981-68-1) is a chemical compound with molecular formula C22H23N3O6 and molecular weight 425.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-methoxy-12-methyl-10,13-dioxo-11-phenylmethoxy-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl)methyl carbamate
Also Known As: 7-Benzyloxy-7-demethoxymitomycin A, 6-Phenylmethoxy-6-deaminomitomycin C, 7-Benzyloxy-9-(hydroxymethyl)-9a-methoxy-6-methylmitosane carbamate, [11-(benzyloxy)-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-(Benzyloxy)-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
| Molecular Formula | C22H23N3O6 |
|---|---|
| Molecular Weight | 425.16 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 425.1587 |
| Heavy Atoms | 31 |
| Complexity | 905.0 |
Chemical Identifiers
| CAS Number | 56981-68-1 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)OCC5=CC=CC=C5 |
| InChIKey | IQIWIPWLKJCYNJ-UHFFFAOYSA-N |
Product Overview
7-Benzyloxy-7-demethoxymitomycin A (CAS 56981-68-1), with molecular formula C22H23N3O6 and molecular weight 425.16 g/mol. IUPAC: (7-methoxy-12-methyl-10,13-dioxo-11-phenylmethoxy-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl)methyl carbamate.
Chemical Property Profile of 7-Benzyloxy-7-demethoxymitomycin A
Property Insights of 7-Benzyloxy-7-demethoxymitomycin A
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Benzyloxy-7-demethoxymitomycin A. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Benzyloxy-7-demethoxymitomycin A. Following Lipinski's Rule of Five, 7-Benzyloxy-7-demethoxymitomycin A 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
Frequently Asked Questions
What is the CAS number of 7-Benzyloxy-7-demethoxymitomycin A?
The CAS number of 7-Benzyloxy-7-demethoxymitomycin A is 56981-68-1.
What is the molecular formula of 7-Benzyloxy-7-demethoxymitomycin A?
The molecular formula of 7-Benzyloxy-7-demethoxymitomycin A is C22H23N3O6.
What is the molecular weight of 7-Benzyloxy-7-demethoxymitomycin A?
The molecular weight of 7-Benzyloxy-7-demethoxymitomycin A is 425.16 g/mol.
Where can I buy 7-Benzyloxy-7-demethoxymitomycin A?
You can request a quote for 7-Benzyloxy-7-demethoxymitomycin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Benzyloxy-7-demethoxymitomycin A?
Yes, KEHONG BIO provides custom synthesis services for 7-Benzyloxy-7-demethoxymitomycin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.