茴香脑
TL;DR: 茴香脑 (CAS 4180-23-8) is a chemical compound with molecular formula C14H36N4O7P2S2 and molecular weight 498.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
茴香脑
[hydroxy(propoxy)phosphoryl] propyl hydrogen phosphate;propyl carbamimidothioate
Also Known As: 2-Propyl-2-thiopseudourea p,p'-dipropylpyrophosphate (2:1), p,p'-Dipropylpyrophosphate bis-S-propyl-isothiuronium, propyl carbamimidothioate- dipropyl dihydrogen diphosphate(2:1), Propyl carbamimidothioate--dipropyl dihydrogen diphosphate (2/1), Pseudourea, 2-propyl-2-thio-, p,p'-dipropylpyrophosphate (2:1)
| Molecular Formula | C14H36N4O7P2S2 |
|---|---|
| Molecular Weight | 498.15 g/mol |
| LogP | 4.10314 |
| Topological Polar Surface Area | 253.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 14 |
| Exact Mass | 498.15005 |
| Heavy Atoms | 29 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 4180-23-8 |
|---|---|
| SMILES | CCCOP(=O)(O)OP(=O)(O)OCCC.CCCSC(=N)N.CCCSC(=N)N |
| InChIKey | NIJUOQHRLQRNNJ-UHFFFAOYSA-N |
Product Overview
茴香脑 (CAS 4180-23-8), with molecular formula C14H36N4O7P2S2 and molecular weight 498.15 g/mol. IUPAC: [hydroxy(propoxy)phosphoryl] propyl hydrogen phosphate;propyl carbamimidothioate.
Chemical Property Profile of 茴香脑
Property Insights of 茴香脑
The XLogP value of 4.10314 indicates that 茴香脑 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 253.0 Ų indicates high polarity, suggesting 茴香脑 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 茴香脑 has 6 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 茴香脑?
The CAS number of 茴香脑 is 4180-23-8.
What is the molecular formula of 茴香脑?
The molecular formula of 茴香脑 is C14H36N4O7P2S2.
What is the molecular weight of 茴香脑?
The molecular weight of 茴香脑 is 498.15 g/mol.
Where can I buy 茴香脑?
You can request a quote for 茴香脑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 茴香脑?
Yes, KEHONG BIO provides custom synthesis services for 茴香脑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.