KST-1B3593
TL;DR: KST-1B3593 (CAS 36391-22-7) is a chemical compound with molecular formula C20H21Br2NO3S and molecular weight 512.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dibromo-8b-ethoxy-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1aH-cyclopropa[d][1]benzazepine
Also Known As: KST-1B3593, 1,1-dibromo-8b-ethoxy-4-[(4-methylphenyl)sulfonyl]-1,1a,2,3,4,8b-hexahydrocyclopropa[d][1]benzazepine, 1,1-dibromo-8b-ethoxy-4-(4-methylphenyl)sulfonyl-2,3-dihydro, 1,1-Dibromo-8b-ethoxy-4-(4-methylbenzene-1-sulfonyl)-1,1a,2,3,4,8b-hexahydrocyclopropa[d][1]benzazepine, 1,1-dibromo-8b-ethoxy-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1aH-cyclopropa[d][1]benzazepine
| Molecular Formula | C20H21Br2NO3S |
|---|---|
| Molecular Weight | 512.96 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 512.9609 |
| Heavy Atoms | 27 |
| Complexity | 657.0 |
Chemical Identifiers
| CAS Number | 36391-22-7 |
|---|---|
| SMILES | CCOC12C(C1(Br)Br)CCN(C3=CC=CC=C23)S(=O)(=O)C4=CC=C(C=C4)C |
| InChIKey | BYAJMGZNYGKAKO-UHFFFAOYSA-N |
Product Overview
KST-1B3593 (CAS 36391-22-7), with molecular formula C20H21Br2NO3S and molecular weight 512.96 g/mol. IUPAC: 1,1-dibromo-8b-ethoxy-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1aH-cyclopropa[d][1]benzazepine.
Chemical Property Profile of KST-1B3593
Property Insights of KST-1B3593
The XLogP value of 4.5 indicates that KST-1B3593 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.0 Ų, KST-1B3593 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1B3593 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-1B3593?
The CAS number of KST-1B3593 is 36391-22-7.
What is the molecular formula of KST-1B3593?
The molecular formula of KST-1B3593 is C20H21Br2NO3S.
What is the molecular weight of KST-1B3593?
The molecular weight of KST-1B3593 is 512.96 g/mol.
Where can I buy KST-1B3593?
You can request a quote for KST-1B3593 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B3593?
Yes, KEHONG BIO provides custom synthesis services for KST-1B3593 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.