KST-1B3796
TL;DR: KST-1B3796 (CAS 38203-08-6) is a chemical compound with molecular formula C28H31NO3 and molecular weight 429.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[4-[(3R,4R)-7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenoxy]ethyl]pyrrolidine
Also Known As: KST-1B3796, J1.297.784K, (E)-1-(2-(4-(3,4-Dihydro-7-methoxy-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)ethyl)pyrrolidine, 3,4-trans-3-Phenyl-4-p-(beta-pyrrolidinoethoxy)phenyl-7-methoxychroman, 1-(2-{4-[(3r,4r)-7-methoxy-3-phenyl-3,4-dihydro-2h-chromen-4-yl]phenoxy}ethyl)pyrrolidine
| Molecular Formula | C28H31NO3 |
|---|---|
| Molecular Weight | 429.23 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 30.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.2304 |
| Heavy Atoms | 32 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 38203-08-6 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)[C@H]([C@@H](CO2)C3=CC=CC=C3)C4=CC=C(C=C4)OCCN5CCCC5 |
| InChIKey | SKXCQODDFFKXHF-XTEPFMGCSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
KST-1B3796 (CAS 38203-08-6), with molecular formula C28H31NO3 and molecular weight 429.23 g/mol. IUPAC: 1-[2-[4-[(3R,4R)-7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenoxy]ethyl]pyrrolidine.
Chemical Property Profile of KST-1B3796
Property Insights of KST-1B3796
The XLogP value of 5.6 indicates that KST-1B3796 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.9 Ų, KST-1B3796 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1B3796 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1B3796?
The CAS number of KST-1B3796 is 38203-08-6.
What is the molecular formula of KST-1B3796?
The molecular formula of KST-1B3796 is C28H31NO3.
What is the molecular weight of KST-1B3796?
The molecular weight of KST-1B3796 is 429.23 g/mol.
Where can I buy KST-1B3796?
You can request a quote for KST-1B3796 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B3796?
Yes, KEHONG BIO provides custom synthesis services for KST-1B3796 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.