毛壳菌素
TL;DR: 毛壳菌素 (CAS 1403-36-7) is a chemical compound with molecular formula C31H30N6O6S4 and molecular weight 710.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
毛壳菌素
14-(hydroxymethyl)-3-[3-[[4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]octan-1-yl]methyl]indol-1-yl]-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione
Also Known As: Chetomin, Chaetomin, NCI60_002373, 4-27-00-09496 (Beilstein Handbook Reference), 3-(hydroxymethyl)-10b-(3-{[4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]oct-1-yl]methyl}-1h-indol-1-yl)-2-methyl-2,3,5a,6,10b,11-hexahydro-3,11a-epidithiopyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4-dione
| Molecular Formula | C31H30N6O6S4 |
|---|---|
| Molecular Weight | 710.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 240.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 710.11096 |
| Heavy Atoms | 47 |
| Complexity | 1460.0 |
Chemical Identifiers
| CAS Number | 1403-36-7 |
|---|---|
| SMILES | CN1C(=O)C2(N(C(=O)C1(SS2)CC3=CN(C4=CC=CC=C43)C56CC78C(=O)N(C(C(=O)N7C5NC9=CC=CC=C69)(SS8)CO)C)C)CO |
| InChIKey | ZRZWBWPDBOVIGQ-UHFFFAOYSA-N |
Product Overview
毛壳菌素 (CAS 1403-36-7), with molecular formula C31H30N6O6S4 and molecular weight 710.11 g/mol. IUPAC: 14-(hydroxymethyl)-3-[3-[[4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]octan-1-yl]methyl]indol-1-yl]-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione.
Chemical Property Profile of 毛壳菌素
Property Insights of 毛壳菌素
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 毛壳菌素. The TPSA of 240.0 Ų indicates high polarity, suggesting 毛壳菌素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 毛壳菌素 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 毛壳菌素?
The CAS number of 毛壳菌素 is 1403-36-7.
What is the molecular formula of 毛壳菌素?
The molecular formula of 毛壳菌素 is C31H30N6O6S4.
What is the molecular weight of 毛壳菌素?
The molecular weight of 毛壳菌素 is 710.11 g/mol.
Where can I buy 毛壳菌素?
You can request a quote for 毛壳菌素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 毛壳菌素?
Yes, KEHONG BIO provides custom synthesis services for 毛壳菌素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.