KST-1B0100
TL;DR: KST-1B0100 (CAS 1247-46-7) is a chemical compound with molecular formula C13H24ClNO7P2 and molecular weight 403.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-hydroxy-3-(4-phenylbutylamino)-1-phosphonopropyl]phosphonic acid;hydrochloride
Also Known As: KST-1B0100, {1-hydroxy-3-[(4-phenylbutyl)amino]propane-1,1-diyl}bis(phosphonic acid) hydrochloride, Phosphonic acid,[1-hydroxy-3-[(4-phenylbutyl)amino]propylidene]bis- (9CI), N-(4-phenylbutyl)-3-aminopropyl-1-hydroxy-1,1-bisphosphonate (hydrate), [1-hydroxy-3-(4-phenylbutylamino)-1-phosphonopropyl]phosphonic acid hydrochloride
| Molecular Formula | C13H24ClNO7P2 |
|---|---|
| Molecular Weight | 403.07 g/mol |
| LogP | 1.4123 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 403.07166 |
| Heavy Atoms | 24 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 1247-46-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCCNCCC(O)(P(=O)(O)O)P(=O)(O)O.Cl |
| InChIKey | QUZHOSXHAJUBAH-UHFFFAOYSA-N |
Product Overview
KST-1B0100 (CAS 1247-46-7), with molecular formula C13H24ClNO7P2 and molecular weight 403.07 g/mol. IUPAC: [1-hydroxy-3-(4-phenylbutylamino)-1-phosphonopropyl]phosphonic acid;hydrochloride.
Chemical Property Profile of KST-1B0100
Property Insights of KST-1B0100
The XLogP value of 1.4123 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1B0100. The TPSA of 147.0 Ų indicates high polarity, suggesting KST-1B0100 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KST-1B0100 has 7 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1B0100?
The CAS number of KST-1B0100 is 1247-46-7.
What is the molecular formula of KST-1B0100?
The molecular formula of KST-1B0100 is C13H24ClNO7P2.
What is the molecular weight of KST-1B0100?
The molecular weight of KST-1B0100 is 403.07 g/mol.
Where can I buy KST-1B0100?
You can request a quote for KST-1B0100 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B0100?
Yes, KEHONG BIO provides custom synthesis services for KST-1B0100 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.