Discorhabdin D
TL;DR: Discorhabdin D (CAS 115384-95-7) is a chemical compound with molecular formula C18H14N3O2S+ and molecular weight 336.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(14R,19S)-11-hydroxy-15-thia-9,13-diaza-4-azoniaheptacyclo[12.6.1.13,7.01,16.02,12.04,19.010,22]docosa-2(12),3,7(22),8,10,16-hexaen-18-one
Also Known As: Discorhabdine D, Discorhabdin D, Prianosin D, NCI60_008278, 2H-7,9-Epithio-8a,12-methanoazocino(4,3,2,1-lmn)pyrrolo(4,3,2-de)(1,7)phenanthrolin-13-ium, 1,4,5,6,7,8,11,12-octahydro-5,11-dioxo-, (7S-(7alpha,8abeta,12beta))-
| Molecular Formula | C18H14N3O2S+ |
|---|---|
| Molecular Weight | 336.08 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 90.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 336.08066 |
| Heavy Atoms | 24 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 115384-95-7 |
|---|---|
| SMILES | C1C[N+]2=C3C4=C1C=NC4=C(C5=C3C67C[C@H]2C(=O)C=C6S[C@H](C7)N5)O |
| InChIKey | QYJUINXANIOBKV-KCTXZOJISA-O |
Product Overview
Discorhabdin D (CAS 115384-95-7), with molecular formula C18H14N3O2S+ and molecular weight 336.08 g/mol. IUPAC: (14R,19S)-11-hydroxy-15-thia-9,13-diaza-4-azoniaheptacyclo[12.6.1.13,7.01,16.02,12.04,19.010,22]docosa-2(12),3,7(22),8,10,16-hexaen-18-one.
Chemical Property Profile of Discorhabdin D
Property Insights of Discorhabdin D
The XLogP value of -0.1 indicates that Discorhabdin D is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Discorhabdin D. Following Lipinski's Rule of Five, Discorhabdin D has 2 hydrogen bond donor(s) and 5 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 Discorhabdin D?
The CAS number of Discorhabdin D is 115384-95-7.
What is the molecular formula of Discorhabdin D?
The molecular formula of Discorhabdin D is C18H14N3O2S+.
What is the molecular weight of Discorhabdin D?
The molecular weight of Discorhabdin D is 336.08 g/mol.
Where can I buy Discorhabdin D?
You can request a quote for Discorhabdin D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Discorhabdin D?
Yes, KEHONG BIO provides custom synthesis services for Discorhabdin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.