Benzyloxycarbonylmitomycin C
TL;DR: Benzyloxycarbonylmitomycin C (CAS 86476-06-4) is a chemical compound with molecular formula C23H24N4O7 and molecular weight 468.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (4S,6S,7R,8S)-11-amino-8-(carbamoyloxymethyl)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-diene-5-carboxylate
Also Known As: Benzyloxycarbonylmitomycin C, Azirino(2',3':3,4)pyrrolo(1,2-a)indole-1(2H)-carboxylic acid,6-amino-8-(((aminocarbonyl)oxy)methyl)-1a,4,7,8,8a,8b-hexahydro-8a-methoxy-5-methyl-4,7-dioxo-, phenylmethyl ester, (1aS-(1aalpha,8beta,8aalpha,8balpha))-, (1aS)-6-Amino-8beta-(aminocarbonyloxymethyl)-1,1aalpha,2,8,8aalpha,8balpha-hexahydro-1-(benzyloxycarbonyl)-8a-methoxy-5-methylazirino[2 ,3 :3,4]pyrrolo[1,2-a]indole-4,7-dione, (1S,2S,9S,9aR)-6-Methyl-7-amino-9-(carbamoyloxymethyl)-9a-methoxy-10-(benzyloxycarbonyl)-1,2-epimino-2,3,9,9a-tetrahydro-1H-pyrrolo[1,2-a]indole-5,8-dione, Benzyl (1aS,8S,8aR,8bS)-6-amino-8-[(carbamoyloxy)methyl]-8a-methoxy-5-methyl-4,7-dioxo-1a,4,7,8,8a,8b-hexahydroazirino[2',3':3,4]pyrrolo[1,2-a]indole-1(2H)-carboxylate
| Molecular Formula | C23H24N4O7 |
|---|---|
| Molecular Weight | 468.16 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 468.1645 |
| Heavy Atoms | 34 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 86476-06-4 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4C(=O)OCC5=CC=CC=C5)N |
| InChIKey | CJIRVXBJPJZXCU-NEIQCHHRSA-N |
Product Overview
Benzyloxycarbonylmitomycin C (CAS 86476-06-4), with molecular formula C23H24N4O7 and molecular weight 468.16 g/mol. IUPAC: benzyl (4S,6S,7R,8S)-11-amino-8-(carbamoyloxymethyl)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-diene-5-carboxylate.
Chemical Property Profile of Benzyloxycarbonylmitomycin C
Property Insights of Benzyloxycarbonylmitomycin C
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyloxycarbonylmitomycin C. The TPSA of 154.0 Ų indicates high polarity, suggesting Benzyloxycarbonylmitomycin C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzyloxycarbonylmitomycin 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 Benzyloxycarbonylmitomycin C?
The CAS number of Benzyloxycarbonylmitomycin C is 86476-06-4.
What is the molecular formula of Benzyloxycarbonylmitomycin C?
The molecular formula of Benzyloxycarbonylmitomycin C is C23H24N4O7.
What is the molecular weight of Benzyloxycarbonylmitomycin C?
The molecular weight of Benzyloxycarbonylmitomycin C is 468.16 g/mol.
Where can I buy Benzyloxycarbonylmitomycin C?
You can request a quote for Benzyloxycarbonylmitomycin C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyloxycarbonylmitomycin C?
Yes, KEHONG BIO provides custom synthesis services for Benzyloxycarbonylmitomycin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.