N6-4-Methyl-2-thiazolylmitomycin C
TL;DR: N6-4-Methyl-2-thiazolylmitomycin C (CAS 84397-36-4) is a chemical compound with molecular formula C19H21N5O5S and molecular weight 431.13 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-[(4-methyl-1,3-thiazol-2-yl)amino]-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: N6-4-Methyl-2-thiazolylmitomycin C, N(6)-4-Methyl-2-thiazolylmitomycin C, (1S,2S,9S,9aR)-6-Methyl-7-(4-methyl-2-thiazolylamino)-9-(carbamoyloxymethyl)-9a-methoxy-1,2-epimino-2,3,9,9a-tetrahydro-1H-pyrrolo[1,2-a]indole-5,8-dione, Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-6-((4-methyl-2-thiazolyl)amino)-, (1aS-(1aalpha,8beta,8aalpha,8balpha))-, (1aS)-6-(4-Methyl-2-thiazolylamino)-8beta-[(aminocarbonyloxy)methyl]-1,1aalpha,2,8,8a,8balpha-hexahydro-8aalpha-methoxy-5-methylazirino[2 ,3 :3,4]pyrrolo[1,2-a]indole-4,7-dione
| Molecular Formula | C19H21N5O5S |
|---|---|
| Molecular Weight | 431.13 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.12634 |
| Heavy Atoms | 30 |
| Complexity | 919.0 |
Chemical Identifiers
| CAS Number | 84397-36-4 |
|---|---|
| SMILES | CC1=CSC(=N1)NC2=C(C(=O)C3=C(C2=O)[C@H]([C@@]4(N3C[C@H]5[C@@H]4N5)OC)COC(=O)N)C |
| InChIKey | GJMYQLAUNLWMMV-SHNIBNMDSA-N |
Product Overview
N6-4-Methyl-2-thiazolylmitomycin C (CAS 84397-36-4), with molecular formula C19H21N5O5S and molecular weight 431.13 g/mol. IUPAC: [(4S,6S,7R,8S)-7-methoxy-12-methyl-11-[(4-methyl-1,3-thiazol-2-yl)amino]-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 N6-4-Methyl-2-thiazolylmitomycin C
Property Insights of N6-4-Methyl-2-thiazolylmitomycin C
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N6-4-Methyl-2-thiazolylmitomycin C. The TPSA of 174.0 Ų indicates high polarity, suggesting N6-4-Methyl-2-thiazolylmitomycin C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N6-4-Methyl-2-thiazolylmitomycin C has 3 hydrogen bond donor(s) and 10 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 N6-4-Methyl-2-thiazolylmitomycin C?
The CAS number of N6-4-Methyl-2-thiazolylmitomycin C is 84397-36-4.
What is the molecular formula of N6-4-Methyl-2-thiazolylmitomycin C?
The molecular formula of N6-4-Methyl-2-thiazolylmitomycin C is C19H21N5O5S.
What is the molecular weight of N6-4-Methyl-2-thiazolylmitomycin C?
The molecular weight of N6-4-Methyl-2-thiazolylmitomycin C is 431.13 g/mol.
Where can I buy N6-4-Methyl-2-thiazolylmitomycin C?
You can request a quote for N6-4-Methyl-2-thiazolylmitomycin C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N6-4-Methyl-2-thiazolylmitomycin C?
Yes, KEHONG BIO provides custom synthesis services for N6-4-Methyl-2-thiazolylmitomycin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.