10K-569S
TL;DR: 10K-569S (CAS 337923-65-6) is a chemical compound with molecular formula C19H20BrNO3S2 and molecular weight 453.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[1-[2-(4-bromophenyl)sulfanylethylamino]-1-oxopropan-2-yl]sulfanylbenzoate
Also Known As: 10K-569S, methyl 2-{[2-({2-[(4-bromophenyl)sulfanyl]ethyl}amino)-1-methyl-2-oxoethyl]sulfanyl}benzenecarboxylate, methyl 2-[1-[2-(4-bromophenyl)sulfanylethylamino]-1-oxopropan-2-yl]sulfanylbenzoate, methyl 2-{[1-({2-[(4-bromophenyl)sulfanyl]ethyl}carbamoyl)ethyl]sulfanyl}benzoate, Methyl 2-[1-[2-(4-bromophenyl)sulfanylethylcarbamoyl]ethylsulfanyl]benzoate
| Molecular Formula | C19H20BrNO3S2 |
|---|---|
| Molecular Weight | 453.01 g/mol |
| LogP | 4.6248 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 453.0068 |
| Heavy Atoms | 26 |
| Complexity | 752.7044 |
Chemical Identifiers
| CAS Number | 337923-65-6 |
|---|---|
| SMILES | CC(C(=O)NCCSC1=CC=C(C=C1)Br)SC2=CC=CC=C2C(=O)OC |
Product Overview
10K-569S (CAS 337923-65-6), with molecular formula C19H20BrNO3S2 and molecular weight 453.01 g/mol. IUPAC: methyl 2-[1-[2-(4-bromophenyl)sulfanylethylamino]-1-oxopropan-2-yl]sulfanylbenzoate.
Chemical Property Profile of 10K-569S
Property Insights of 10K-569S
The XLogP value of 4.6248 indicates that 10K-569S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 10K-569S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10K-569S has 1 hydrogen bond donor(s) and 5 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 10K-569S?
The CAS number of 10K-569S is 337923-65-6.
What is the molecular formula of 10K-569S?
The molecular formula of 10K-569S is C19H20BrNO3S2.
What is the molecular weight of 10K-569S?
The molecular weight of 10K-569S is 453.01 g/mol.
Where can I buy 10K-569S?
You can request a quote for 10K-569S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10K-569S?
Yes, KEHONG BIO provides custom synthesis services for 10K-569S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.