Mbid
TL;DR: Mbid (CAS 135252-60-7) is a chemical compound with molecular formula C47H66N4O12 and molecular weight 878.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanol;methyl 11-acetyloxy-12-ethyl-10-hydroxy-4-[14-[2-hydroxy-2-(hydroxymethyl)butyl]-16-methoxycarbonyl-2,12-diazatetracyclo[7.7.0.01,12.03,8]hexadeca-3,5,7-trien-9-yl]-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate;hydrate
Also Known As: MBID, methyl 4-(acetyloxy)-3-hydroxy-15-{3-[2-hydroxy-2-(hydroxymethyl)butyl]-1-(methoxycarbonyl)-1,2,3,4,6,7-hexahydroindolizino[8a,1-b]indol-7a(12h)-yl}-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate- methanol hydrate(1:1:1), Methyl 4-(acetyloxy)-3-hydroxy-15-{3-[2-hydroxy-2-(hydroxymethyl)butyl]-1-(methoxycarbonyl)-1,2,3,4,6,7-hexahydroindolizino[8a,1-b]indol-7a(12H)-yl}-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate--methanol--water (1/1/1), Methyl-4-(acetyloxy)-3a-ethyl-3a,4,5,5a,6,11,12,13a-octahydro-9-(1,2,3,4,6,7,7a,12-octahydro-3-(2-hydroxy-2-hydroxymethylbutyl)-1-(methoxycarbonyl)indolizino(1,2-b)indol-7a-yl)-5-hydroxy-8-methoxy-6-methyl-1H-indolizino(8,1-c,d)-carbazole-5-carboxylate
| Molecular Formula | C47H66N4O12 |
|---|---|
| Molecular Weight | 878.47 g/mol |
| LogP | 1.8713 |
| Topological Polar Surface Area | 192.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 13 |
| Exact Mass | 878.4677 |
| Heavy Atoms | 63 |
| Complexity | 1750.0 |
Chemical Identifiers
| CAS Number | 135252-60-7 |
|---|---|
| SMILES | CCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)C67CCN8C6(C(CC(C8)CC(CC)(CO)O)C(=O)OC)NC9=CC=CC=C79)OC)C.CO.O |
| InChIKey | UHPUCGUHOAGWID-UHFFFAOYSA-N |
Product Overview
Mbid (CAS 135252-60-7), with molecular formula C47H66N4O12 and molecular weight 878.47 g/mol. IUPAC: methanol;methyl 11-acetyloxy-12-ethyl-10-hydroxy-4-[14-[2-hydroxy-2-(hydroxymethyl)butyl]-16-methoxycarbonyl-2,12-diazatetracyclo[7.7.0.01,12.03,8]hexadeca-3,5,7-trien-9-yl]-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate;hydrate.
Chemical Property Profile of Mbid
Property Insights of Mbid
The XLogP value of 1.8713 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mbid. The TPSA of 192.0 Ų indicates high polarity, suggesting Mbid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mbid has 6 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mbid?
The CAS number of Mbid is 135252-60-7.
What is the molecular formula of Mbid?
The molecular formula of Mbid is C47H66N4O12.
What is the molecular weight of Mbid?
The molecular weight of Mbid is 878.47 g/mol.
Where can I buy Mbid?
You can request a quote for Mbid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mbid?
Yes, KEHONG BIO provides custom synthesis services for Mbid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.