KST-1B0548
TL;DR: KST-1B0548 (CAS 147861-76-5) is a chemical compound with molecular formula C19H23Cl3N3OP and molecular weight 445.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloroethyl)-1,3-bis[(4-chlorophenyl)methyl]-2-oxo-1,3,2λ5-diazaphosphinan-2-amine
Also Known As: KST-1B0548, 1,3-bis(4-chlorobenzyl)-n-(2-chloroethyl)-1,3,2-diazaphosphinan-2-amine 2-oxide, N-(2-chloroethyl)-1,3-bis[(4-chlorophenyl)methyl]-2-oxo-1,3,2, [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl, N-(2-chloroethyl)-1,3-bis[(4-chlorophenyl)methyl]-2-oxo-1,3,2lambda5-diazaphosphinan-2-amine
| Molecular Formula | C19H23Cl3N3OP |
|---|---|
| Molecular Weight | 445.06 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 35.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.06442 |
| Heavy Atoms | 27 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 147861-76-5 |
|---|---|
| SMILES | C1CN(P(=O)(N(C1)CC2=CC=C(C=C2)Cl)NCCCl)CC3=CC=C(C=C3)Cl |
| InChIKey | YRUCUZWMQGIUIX-UHFFFAOYSA-N |
Product Overview
KST-1B0548 (CAS 147861-76-5), with molecular formula C19H23Cl3N3OP and molecular weight 445.06 g/mol. IUPAC: N-(2-chloroethyl)-1,3-bis[(4-chlorophenyl)methyl]-2-oxo-1,3,2λ5-diazaphosphinan-2-amine.
Chemical Property Profile of KST-1B0548
Property Insights of KST-1B0548
The XLogP value of 4.6 indicates that KST-1B0548 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.6 Ų, KST-1B0548 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1B0548 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 KST-1B0548?
The CAS number of KST-1B0548 is 147861-76-5.
What is the molecular formula of KST-1B0548?
The molecular formula of KST-1B0548 is C19H23Cl3N3OP.
What is the molecular weight of KST-1B0548?
The molecular weight of KST-1B0548 is 445.06 g/mol.
Where can I buy KST-1B0548?
You can request a quote for KST-1B0548 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B0548?
Yes, KEHONG BIO provides custom synthesis services for KST-1B0548 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.