1a-Acetylmitomycin C
TL;DR: 1a-Acetylmitomycin C (CAS 1102-95-0) is a chemical compound with molecular formula C17H20N4O6 and molecular weight 376.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7R,8S)-5-acetyl-11-amino-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: 1a-Acetylmitomycin C, (1-Acetyl-6-amino-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, [(7R,8S)-5-Acetyl-11-amino-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, [(8S,8aR)-1-Acetyl-6-amino-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, Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-1-acetyl-6-amino-8-(hydroxymethyl)-8a-methoxy-5-methyl-, carbamate
| Molecular Formula | C17H20N4O6 |
|---|---|
| Molecular Weight | 376.14 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.13828 |
| Heavy Atoms | 27 |
| Complexity | 877.0 |
Chemical Identifiers
| CAS Number | 1102-95-0 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)N3CC4C([C@@]3([C@@H]2COC(=O)N)OC)N4C(=O)C)N |
| InChIKey | RLPARBOQTNGFMR-CXJMUXJASA-N |
Product Overview
1a-Acetylmitomycin C (CAS 1102-95-0), with molecular formula C17H20N4O6 and molecular weight 376.14 g/mol. IUPAC: [(7R,8S)-5-acetyl-11-amino-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.
Chemical Property Profile of 1a-Acetylmitomycin C
Property Insights of 1a-Acetylmitomycin C
The XLogP value of -0.4 indicates that 1a-Acetylmitomycin C is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 145.0 Ų indicates high polarity, suggesting 1a-Acetylmitomycin C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1a-Acetylmitomycin 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
Frequently Asked Questions
What is the CAS number of 1a-Acetylmitomycin C?
The CAS number of 1a-Acetylmitomycin C is 1102-95-0.
What is the molecular formula of 1a-Acetylmitomycin C?
The molecular formula of 1a-Acetylmitomycin C is C17H20N4O6.
What is the molecular weight of 1a-Acetylmitomycin C?
The molecular weight of 1a-Acetylmitomycin C is 376.14 g/mol.
Where can I buy 1a-Acetylmitomycin C?
You can request a quote for 1a-Acetylmitomycin C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1a-Acetylmitomycin C?
Yes, KEHONG BIO provides custom synthesis services for 1a-Acetylmitomycin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.