KST-1A9981
TL;DR: KST-1A9981 (CAS 116360-82-8) is a chemical compound with molecular formula C25H30N3O3P and molecular weight 451.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis[(4-methoxyphenyl)methyl]-2-oxo-N-phenyl-1,3,2λ5-diazaphosphinan-2-amine
Also Known As: KST-1A9981, 1,3-bis(4-methoxybenzyl)-n-phenyl-1,3,2-diazaphosphinan-2-amine 2-oxide, 1,3-bis[(4-methoxyphenyl)methyl]-2-oxo-N-phenyl-1,3,2, 1,3-bis(4-methoxybenzyl)-2-(phenylamino)-1,3,2-diazaphosphinane 2-oxide, N-(4-methoxyphenyl)-1,3-bis[(4-methoxyphenyl)methyl]-2-oxo-1,3,2
| Molecular Formula | C25H30N3O3P |
|---|---|
| Molecular Weight | 451.20 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 451.20248 |
| Heavy Atoms | 32 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 116360-82-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2CCCN(P2(=O)NC3=CC=CC=C3)CC4=CC=C(C=C4)OC |
| InChIKey | PEPKQXYBKIQSRK-UHFFFAOYSA-N |
Product Overview
KST-1A9981 (CAS 116360-82-8), with molecular formula C25H30N3O3P and molecular weight 451.20 g/mol. IUPAC: 1,3-bis[(4-methoxyphenyl)methyl]-2-oxo-N-phenyl-1,3,2λ5-diazaphosphinan-2-amine.
Chemical Property Profile of KST-1A9981
Property Insights of KST-1A9981
The XLogP value of 4.8 indicates that KST-1A9981 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, KST-1A9981 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1A9981 has 1 hydrogen bond donor(s) and 6 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 KST-1A9981?
The CAS number of KST-1A9981 is 116360-82-8.
What is the molecular formula of KST-1A9981?
The molecular formula of KST-1A9981 is C25H30N3O3P.
What is the molecular weight of KST-1A9981?
The molecular weight of KST-1A9981 is 451.20 g/mol.
Where can I buy KST-1A9981?
You can request a quote for KST-1A9981 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A9981?
Yes, KEHONG BIO provides custom synthesis services for KST-1A9981 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.