9-Epimitomycin B
TL;DR: 9-Epimitomycin B (CAS 13164-90-4) is a chemical compound with molecular formula C16H19N3O6 and molecular weight 349.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4S,6S,7R,8S)-7-hydroxy-11-methoxy-5,12-dimethyl-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: 9-Epimitomycin B, Mitomycin A, 9-epi-Mitomycin B, [(4S,6S,7R,8S)-7-hydroxy-11-methoxy-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate, Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-8-(((aminocarbonyl)oxy)methyl)-1,5-dimethyl-8a-hydroxy-6-methoxy-, (1aS-(1a-alpha,8-beta,8a-alpha,8b-alpha))-
| Molecular Formula | C16H19N3O6 |
|---|---|
| Molecular Weight | 349.13 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.12738 |
| Heavy Atoms | 25 |
| Complexity | 787.0 |
Chemical Identifiers
| CAS Number | 13164-90-4 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)O)N4C)OC |
| InChIKey | UZUUQCBCWDBYCG-MMJOLYBUSA-N |
Product Overview
9-Epimitomycin B (CAS 13164-90-4), with molecular formula C16H19N3O6 and molecular weight 349.13 g/mol. IUPAC: [(4S,6S,7R,8S)-7-hydroxy-11-methoxy-5,12-dimethyl-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 9-Epimitomycin B
Property Insights of 9-Epimitomycin B
The XLogP value of -0.3 indicates that 9-Epimitomycin B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Epimitomycin B. Following Lipinski's Rule of Five, 9-Epimitomycin B 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 9-Epimitomycin B?
The CAS number of 9-Epimitomycin B is 13164-90-4.
What is the molecular formula of 9-Epimitomycin B?
The molecular formula of 9-Epimitomycin B is C16H19N3O6.
What is the molecular weight of 9-Epimitomycin B?
The molecular weight of 9-Epimitomycin B is 349.13 g/mol.
Where can I buy 9-Epimitomycin B?
You can request a quote for 9-Epimitomycin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Epimitomycin B?
Yes, KEHONG BIO provides custom synthesis services for 9-Epimitomycin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.