CAS 79451-10-8 - C12H26N3O5PS2
TL;DR: CAS 79451-10-8 - C12H26N3O5PS2 (CAS 79451-10-8) is a chemical compound with molecular formula C12H26N3O5PS2 and molecular weight 387.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[[diethoxyphosphoryl(propan-2-yl)amino]sulfanyl-methylcarbamoyl]oxyethanimidothioate
Also Known As: Ethanimidothioic acid, N-((5-ethoxy-2-methyl-4-(1-methylethyl)-1-oxo-6-oxa-3-thia-2,4-diaza-5-phosphaoct-1-yl)oxy)-, methyl ester, P-oxide
| Molecular Formula | C12H26N3O5PS2 |
|---|---|
| Molecular Weight | 387.11 g/mol |
| LogP | 4.2059 |
| Topological Polar Surface Area | 80.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 387.10516 |
| Heavy Atoms | 23 |
| Complexity | 440.4121 |
Chemical Identifiers
| CAS Number | 79451-10-8 |
|---|---|
| SMILES | CCOP(=O)(N(C(C)C)SN(C)C(=O)ON=C(C)SC)OCC |
Product Overview
CAS 79451-10-8 - C12H26N3O5PS2 (CAS 79451-10-8), with molecular formula C12H26N3O5PS2 and molecular weight 387.11 g/mol. IUPAC: methyl N-[[diethoxyphosphoryl(propan-2-yl)amino]sulfanyl-methylcarbamoyl]oxyethanimidothioate.
Chemical Property Profile of CAS 79451-10-8 - C12H26N3O5PS2
Property Insights of CAS 79451-10-8 - C12H26N3O5PS2
The XLogP value of 4.2059 indicates that CAS 79451-10-8 - C12H26N3O5PS2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.67 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 79451-10-8 - C12H26N3O5PS2. Following Lipinski's Rule of Five, CAS 79451-10-8 - C12H26N3O5PS2 has 0 hydrogen bond donor(s) and 8 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 CAS 79451-10-8 - C12H26N3O5PS2?
The CAS number of CAS 79451-10-8 - C12H26N3O5PS2 is 79451-10-8.
What is the molecular formula of CAS 79451-10-8 - C12H26N3O5PS2?
The molecular formula of CAS 79451-10-8 - C12H26N3O5PS2 is C12H26N3O5PS2.
What is the molecular weight of CAS 79451-10-8 - C12H26N3O5PS2?
The molecular weight of CAS 79451-10-8 - C12H26N3O5PS2 is 387.11 g/mol.
Where can I buy CAS 79451-10-8 - C12H26N3O5PS2?
You can request a quote for CAS 79451-10-8 - C12H26N3O5PS2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 79451-10-8 - C12H26N3O5PS2?
Yes, KEHONG BIO provides custom synthesis services for CAS 79451-10-8 - C12H26N3O5PS2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.