丁香脂素
TL;DR: 丁香脂素 (CAS 21453-69-0) is a chemical compound with molecular formula C6N9P3S6 and molecular weight 482.78 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁香脂素
2,2,4,4,6,6-hexaisothiocyanato-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
Also Known As: Triazatriphosphorine der., N3 P3 (N C S)6, J1.332.142F, 2,2,4,4,6,6-Hexaisothiocyanocyclotriphosphazene, 2,2,4,4,6,6-hexaisothiocyanato-1,3,5-triaza-2
| Molecular Formula | C6N9P3S6 |
|---|---|
| Molecular Weight | 482.78 g/mol |
| LogP | 11.0 |
| Topological Polar Surface Area | 304.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 6 |
| Exact Mass | 482.78137 |
| Heavy Atoms | 24 |
| Complexity | 797.0 |
Chemical Identifiers
| CAS Number | 21453-69-0 |
|---|---|
| SMILES | C(=NP1(=NP(=NP(=N1)(N=C=S)N=C=S)(N=C=S)N=C=S)N=C=S)=S |
| InChIKey | GCZWTDDOBOHXTP-UHFFFAOYSA-N |
Product Overview
丁香脂素 (CAS 21453-69-0), with molecular formula C6N9P3S6 and molecular weight 482.78 g/mol. IUPAC: 2,2,4,4,6,6-hexaisothiocyanato-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene.
Chemical Property Profile of 丁香脂素
Property Insights of 丁香脂素
The XLogP value of 11.0 indicates that 丁香脂素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 304.0 Ų indicates high polarity, suggesting 丁香脂素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 丁香脂素 has 0 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 丁香脂素?
The CAS number of 丁香脂素 is 21453-69-0.
What is the molecular formula of 丁香脂素?
The molecular formula of 丁香脂素 is C6N9P3S6.
What is the molecular weight of 丁香脂素?
The molecular weight of 丁香脂素 is 482.78 g/mol.
Where can I buy 丁香脂素?
You can request a quote for 丁香脂素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁香脂素?
Yes, KEHONG BIO provides custom synthesis services for 丁香脂素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.