Mitomycin derivative T 57
TL;DR: Mitomycin derivative T 57 (CAS 14719-02-9) is a chemical compound with molecular formula C22H21ClN4O6 and molecular weight 472.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7R,8S)-11-amino-5-(4-chlorobenzoyl)-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: Mitomycin derivative T 57, Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-amino-1-(p-chlorobenzoyl)-8-(hydroxymethyl)-8a-methoxy-5-methyl-, carbamate, [(8S,8aR)-6-Amino-1-(4-chlorobenzoyl)-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, [6-Amino-1-(4-chlorobenzoyl)-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, Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-8-[[(aminocarbonyl)oxy]methyl]-1-(4-chlorobenzoyl)-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, [1aR-(1a.alpha.,8.beta.,8a.alpha.,8b.alpha.)]-
| Molecular Formula | C22H21ClN4O6 |
|---|---|
| Molecular Weight | 472.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.11496 |
| Heavy Atoms | 33 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 14719-02-9 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)N3CC4C([C@@]3([C@@H]2COC(=O)N)OC)N4C(=O)C5=CC=C(C=C5)Cl)N |
| InChIKey | IEODXZXRDPARKL-BGYQIFAQSA-N |
Product Overview
Mitomycin derivative T 57 (CAS 14719-02-9), with molecular formula C22H21ClN4O6 and molecular weight 472.11 g/mol. IUPAC: [(7R,8S)-11-amino-5-(4-chlorobenzoyl)-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 Mitomycin derivative T 57
Property Insights of Mitomycin derivative T 57
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mitomycin derivative T 57. The TPSA of 145.0 Ų indicates high polarity, suggesting Mitomycin derivative T 57 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mitomycin derivative T 57 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 Mitomycin derivative T 57?
The CAS number of Mitomycin derivative T 57 is 14719-02-9.
What is the molecular formula of Mitomycin derivative T 57?
The molecular formula of Mitomycin derivative T 57 is C22H21ClN4O6.
What is the molecular weight of Mitomycin derivative T 57?
The molecular weight of Mitomycin derivative T 57 is 472.11 g/mol.
Where can I buy Mitomycin derivative T 57?
You can request a quote for Mitomycin derivative T 57 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mitomycin derivative T 57?
Yes, KEHONG BIO provides custom synthesis services for Mitomycin derivative T 57 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.