Dedihydromitomycin B
TL;DR: Dedihydromitomycin B (CAS 15973-07-6) is a chemical compound with molecular formula C16H17N3O5 and molecular weight 331.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11-methoxy-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),7,11-trien-8-yl)methyl carbamate
Also Known As: Dedihydromitomycin B, Aziridinomitosene, Mitomycin B, dedihydro-, Mitomycin derivative, Mitomycin derivative T 53
| Molecular Formula | C16H17N3O5 |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.11682 |
| Heavy Atoms | 24 |
| Complexity | 675.0 |
Chemical Identifiers
| CAS Number | 15973-07-6 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3=C2COC(=O)N)N4C)OC |
| InChIKey | FSJQMPDKDHPEJH-UHFFFAOYSA-N |
Product Overview
Dedihydromitomycin B (CAS 15973-07-6), with molecular formula C16H17N3O5 and molecular weight 331.12 g/mol. IUPAC: (11-methoxy-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),7,11-trien-8-yl)methyl carbamate.
Chemical Property Profile of Dedihydromitomycin B
Property Insights of Dedihydromitomycin B
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dedihydromitomycin B. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dedihydromitomycin B. Following Lipinski's Rule of Five, Dedihydromitomycin B has 1 hydrogen bond donor(s) and 6 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 Dedihydromitomycin B?
The CAS number of Dedihydromitomycin B is 15973-07-6.
What is the molecular formula of Dedihydromitomycin B?
The molecular formula of Dedihydromitomycin B is C16H17N3O5.
What is the molecular weight of Dedihydromitomycin B?
The molecular weight of Dedihydromitomycin B is 331.12 g/mol.
Where can I buy Dedihydromitomycin B?
You can request a quote for Dedihydromitomycin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dedihydromitomycin B?
Yes, KEHONG BIO provides custom synthesis services for Dedihydromitomycin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.