N-7-(2-(nitrophenyldithio)ethyl)mitomycin C
TL;DR: N-7-(2-(nitrophenyldithio)ethyl)mitomycin C (CAS 95056-36-3) is a chemical compound with molecular formula C23H25N5O7S2 and molecular weight 547.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4S,6S,7R,8S)-7-methoxy-12-methyl-11-[2-[(4-nitrophenyl)disulfanyl]ethylamino]-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: N-7-(2-(Nitrophenyldithio)ethyl)mitomycin C, Bms 181174, Bmy 25067, N-7-(2- mitomycinC, SID:134223112
| Molecular Formula | C23H25N5O7S2 |
|---|---|
| Molecular Weight | 547.12 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 229.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 547.11957 |
| Heavy Atoms | 37 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 95056-36-3 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)NCCSSC5=CC=C(C=C5)[N+](=O)[O-] |
| InChIKey | ZNDJOCJUBZZAMN-USYHLRJESA-N |
Product Overview
N-7-(2-(nitrophenyldithio)ethyl)mitomycin C (CAS 95056-36-3), with molecular formula C23H25N5O7S2 and molecular weight 547.12 g/mol. IUPAC: [(4S,6S,7R,8S)-7-methoxy-12-methyl-11-[2-[(4-nitrophenyl)disulfanyl]ethylamino]-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 N-7-(2-(nitrophenyldithio)ethyl)mitomycin C
Property Insights of N-7-(2-(nitrophenyldithio)ethyl)mitomycin C
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-7-(2-(nitrophenyldithio)ethyl)mitomycin C. The TPSA of 229.0 Ų indicates high polarity, suggesting N-7-(2-(nitrophenyldithio)ethyl)mitomycin C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-7-(2-(nitrophenyldithio)ethyl)mitomycin C has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-7-(2-(nitrophenyldithio)ethyl)mitomycin C?
The CAS number of N-7-(2-(nitrophenyldithio)ethyl)mitomycin C is 95056-36-3.
What is the molecular formula of N-7-(2-(nitrophenyldithio)ethyl)mitomycin C?
The molecular formula of N-7-(2-(nitrophenyldithio)ethyl)mitomycin C is C23H25N5O7S2.
What is the molecular weight of N-7-(2-(nitrophenyldithio)ethyl)mitomycin C?
The molecular weight of N-7-(2-(nitrophenyldithio)ethyl)mitomycin C is 547.12 g/mol.
Where can I buy N-7-(2-(nitrophenyldithio)ethyl)mitomycin C?
You can request a quote for N-7-(2-(nitrophenyldithio)ethyl)mitomycin C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-7-(2-(nitrophenyldithio)ethyl)mitomycin C?
Yes, KEHONG BIO provides custom synthesis services for N-7-(2-(nitrophenyldithio)ethyl)mitomycin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.