N(6)-3-Hydroxypropylmitomycin C
TL;DR: N(6)-3-Hydroxypropylmitomycin C (CAS 78142-86-6) is a chemical compound with molecular formula C18H24N4O6 and molecular weight 392.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4S,6S,7R,8S)-11-(3-hydroxypropylamino)-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: N(6)-3-Hydroxypropylmitomycin C, N6-3-HYDROXYPROPYLMITOMYCIN C, 8-(((Aminocarbonyl)oxy)methyl)-1,1a,2,8,8a,8b-tetrahydro-6-((3-hydroxypropyl)amino)-8a-methoxy-5-methylazirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione (1aR-(1aalpha,8beta,8aalpha,8balpha))-, Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,8a,8b-tetrahydro-6-((3-hydroxypropyl)amino)-8a-methoxy-5-methyl-, (1aR-(1aalpha,8beta,8aalpha,8balpha))-, (1aS)-6-(3-Hydroxypropylamino)-8beta-[(aminocarbonyloxy)methyl]-1,1aalpha,2,8,8aalpha,8balpha-hexahydro-8a-methoxy-5-methylazirino[2 ,3 :3,4]pyrrolo[1,2-a]indole-4,7-dione
| Molecular Formula | C18H24N4O6 |
|---|---|
| Molecular Weight | 392.17 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 392.1696 |
| Heavy Atoms | 28 |
| Complexity | 821.0 |
Chemical Identifiers
| CAS Number | 78142-86-6 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)NCCCO |
| InChIKey | PQNVDJLPWLFSPY-QJIICXBUSA-N |
Product Overview
N(6)-3-Hydroxypropylmitomycin C (CAS 78142-86-6), with molecular formula C18H24N4O6 and molecular weight 392.17 g/mol. IUPAC: [(4S,6S,7R,8S)-11-(3-hydroxypropylamino)-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 N(6)-3-Hydroxypropylmitomycin C
Property Insights of N(6)-3-Hydroxypropylmitomycin C
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N(6)-3-Hydroxypropylmitomycin C. The TPSA of 153.0 Ų indicates high polarity, suggesting N(6)-3-Hydroxypropylmitomycin C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N(6)-3-Hydroxypropylmitomycin C has 4 hydrogen bond donor(s) and 9 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 N(6)-3-Hydroxypropylmitomycin C?
The CAS number of N(6)-3-Hydroxypropylmitomycin C is 78142-86-6.
What is the molecular formula of N(6)-3-Hydroxypropylmitomycin C?
The molecular formula of N(6)-3-Hydroxypropylmitomycin C is C18H24N4O6.
What is the molecular weight of N(6)-3-Hydroxypropylmitomycin C?
The molecular weight of N(6)-3-Hydroxypropylmitomycin C is 392.17 g/mol.
Where can I buy N(6)-3-Hydroxypropylmitomycin C?
You can request a quote for N(6)-3-Hydroxypropylmitomycin C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N(6)-3-Hydroxypropylmitomycin C?
Yes, KEHONG BIO provides custom synthesis services for N(6)-3-Hydroxypropylmitomycin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.