Safrotin
TL;DR: Safrotin (CAS 77491-30-6) is a chemical compound with molecular formula C14H27Cl2NO8P2S and molecular weight 501.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dichloroethenyl dimethyl phosphate;propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate
Also Known As: Safrotin, 2,2-dichloroethenyl dimethyl phosphate;propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate, 2-Butenoic acid, 3-(((ethylamino)methoxyphosphinothioyl)oxy)-, 1-methylethyl ester, (E)-, mixt. with 2,2-dichloroethenyl dimethyl phosphate, 2,2-dichloroethenyl dimethyl phosphate,propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate, 2,2-dichloroethenyl dimethyl phosphate; propan-2-yl (E)-3-(ethylamino-methoxyphosphinothioyl)oxybut-2-enoate
| Molecular Formula | C14H27Cl2NO8P2S |
|---|---|
| Molecular Weight | 501.03 g/mol |
| LogP | 5.0192 |
| Topological Polar Surface Area | 101.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 501.03098 |
| Heavy Atoms | 28 |
| Complexity | 618.4625 |
Chemical Identifiers
| CAS Number | 77491-30-6 |
|---|---|
| SMILES | CCNP(=S)(OC)O/C(=C/C(=O)OC(C)C)/C.COP(=O)(OC)OC=C(Cl)Cl |
Product Overview
Safrotin (CAS 77491-30-6), with molecular formula C14H27Cl2NO8P2S and molecular weight 501.03 g/mol. IUPAC: 2,2-dichloroethenyl dimethyl phosphate;propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate.
Chemical Property Profile of Safrotin
Property Insights of Safrotin
The XLogP value of 5.0192 indicates that Safrotin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.55 Ų falls within the moderate polarity range, balancing permeability and solubility for Safrotin. Following Lipinski's Rule of Five, Safrotin has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Safrotin?
The CAS number of Safrotin is 77491-30-6.
What is the molecular formula of Safrotin?
The molecular formula of Safrotin is C14H27Cl2NO8P2S.
What is the molecular weight of Safrotin?
The molecular weight of Safrotin is 501.03 g/mol.
Where can I buy Safrotin?
You can request a quote for Safrotin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Safrotin?
Yes, KEHONG BIO provides custom synthesis services for Safrotin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.