Mitomycin C-Penicillin G
TL;DR: Mitomycin C-Penicillin G (CAS 39471-18-6) is a chemical compound with molecular formula C31H34N6O8S and molecular weight 650.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4S,6S,7R,8S)-11-amino-5-[(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]-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 C-Penicillin G, Mitomycin-Penicillin G, MITOMYCIN + PENICILLIN G, KST-1A4521, [(1as,8s,8ar,8bs)-6-amino-1-({(2s,5r,6r)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]hept-2-yl}carbonyl)-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 carbamate
| Molecular Formula | C31H34N6O8S |
|---|---|
| Molecular Weight | 650.22 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 220.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 650.2159 |
| Heavy Atoms | 46 |
| Complexity | 1540.0 |
Chemical Identifiers
| CAS Number | 39471-18-6 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4C(=O)[C@H]5C(S[C@H]6N5C(=O)[C@H]6NC(=O)CC7=CC=CC=C7)(C)C)N |
| InChIKey | STDFUALJDZXYNX-DOOQSPMCSA-N |
Product Overview
Mitomycin C-Penicillin G (CAS 39471-18-6), with molecular formula C31H34N6O8S and molecular weight 650.22 g/mol. IUPAC: [(4S,6S,7R,8S)-11-amino-5-[(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]-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 C-Penicillin G
Property Insights of Mitomycin C-Penicillin G
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mitomycin C-Penicillin G. The TPSA of 220.0 Ų indicates high polarity, suggesting Mitomycin C-Penicillin G may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mitomycin C-Penicillin G has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mitomycin C-Penicillin G?
The CAS number of Mitomycin C-Penicillin G is 39471-18-6.
What is the molecular formula of Mitomycin C-Penicillin G?
The molecular formula of Mitomycin C-Penicillin G is C31H34N6O8S.
What is the molecular weight of Mitomycin C-Penicillin G?
The molecular weight of Mitomycin C-Penicillin G is 650.22 g/mol.
Where can I buy Mitomycin C-Penicillin G?
You can request a quote for Mitomycin C-Penicillin G directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mitomycin C-Penicillin G?
Yes, KEHONG BIO provides custom synthesis services for Mitomycin C-Penicillin G and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.