龙涎香内酯
TL;DR: 龙涎香内酯 (CAS 468-84-8) is a chemical compound with molecular formula C14H15N2OPS and molecular weight 290.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
龙涎香内酯
5-methoxy-1-methyl-2-phenyl-2-sulfanylidene-3H-1,3,2λ5-benzodiazaphosphole
Also Known As: NCIOpen2_005352, 5-methoxy-1-methyl-2-phenyl-2-sulfanylidene-3H-1,3,2, 5-methoxy-1-methyl-2-phenyl-2,3-dihydro-1h-1,3,2-benzodiazaphosphole 2-sulfide, 5-methoxy-1-methyl-2-phenyl-2-sulfanylidene-3H-1,3,2lambda5-benzo, 1H-1,3,2-Benzodiazaphosphole,2,3-dihydro-5-methoxy-1-methyl-2-phenyl-, 2-sulfide
| Molecular Formula | C14H15N2OPS |
|---|---|
| Molecular Weight | 290.06 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 56.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.06427 |
| Heavy Atoms | 19 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 468-84-8 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)OC)NP1(=S)C3=CC=CC=C3 |
| InChIKey | WWDNXHRGMKSRTF-UHFFFAOYSA-N |
Product Overview
龙涎香内酯 (CAS 468-84-8), with molecular formula C14H15N2OPS and molecular weight 290.06 g/mol. IUPAC: 5-methoxy-1-methyl-2-phenyl-2-sulfanylidene-3H-1,3,2λ5-benzodiazaphosphole.
Chemical Property Profile of 龙涎香内酯
Property Insights of 龙涎香内酯
The XLogP value of 4.6 indicates that 龙涎香内酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.6 Ų, 龙涎香内酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 龙涎香内酯 has 1 hydrogen bond donor(s) and 4 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 龙涎香内酯?
The CAS number of 龙涎香内酯 is 468-84-8.
What is the molecular formula of 龙涎香内酯?
The molecular formula of 龙涎香内酯 is C14H15N2OPS.
What is the molecular weight of 龙涎香内酯?
The molecular weight of 龙涎香内酯 is 290.06 g/mol.
Where can I buy 龙涎香内酯?
You can request a quote for 龙涎香内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 龙涎香内酯?
Yes, KEHONG BIO provides custom synthesis services for 龙涎香内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.