10K-550S
TL;DR: 10K-550S (CAS 337923-45-2) is a chemical compound with molecular formula C19H20ClNO3S2 and molecular weight 409.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[1-[2-(4-chlorophenyl)sulfanylethylamino]-1-oxopropan-2-yl]sulfanylbenzoate
Also Known As: 10K-550S, methyl 2-{[2-({2-[(4-chlorophenyl)sulfanyl]ethyl}amino)-1-methyl-2-oxoethyl]sulfanyl}benzenecarboxylate, methyl 2-[1-[2-(4-chlorophenyl)sulfanylethylamino]-1-oxopropan-2-yl]sulfanylbenzoate, methyl 2-{[1-({2-[(4-chlorophenyl)sulfanyl]ethyl}carbamoyl)ethyl]sulfanyl}benzoate, methyl2-{[1-({2-[(4-chlorophenyl)sulfanyl]ethyl}carbamoyl)ethyl]sulfanyl}benzoate
| Molecular Formula | C19H20ClNO3S2 |
|---|---|
| Molecular Weight | 409.06 g/mol |
| LogP | 4.5157 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 409.0573 |
| Heavy Atoms | 26 |
| Complexity | 752.7044 |
Chemical Identifiers
| CAS Number | 337923-45-2 |
|---|---|
| SMILES | CC(C(=O)NCCSC1=CC=C(C=C1)Cl)SC2=CC=CC=C2C(=O)OC |
Product Overview
10K-550S (CAS 337923-45-2), with molecular formula C19H20ClNO3S2 and molecular weight 409.06 g/mol. IUPAC: methyl 2-[1-[2-(4-chlorophenyl)sulfanylethylamino]-1-oxopropan-2-yl]sulfanylbenzoate.
Chemical Property Profile of 10K-550S
Property Insights of 10K-550S
The XLogP value of 4.5157 indicates that 10K-550S 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-550S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10K-550S 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-550S?
The CAS number of 10K-550S is 337923-45-2.
What is the molecular formula of 10K-550S?
The molecular formula of 10K-550S is C19H20ClNO3S2.
What is the molecular weight of 10K-550S?
The molecular weight of 10K-550S is 409.06 g/mol.
Where can I buy 10K-550S?
You can request a quote for 10K-550S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10K-550S?
Yes, KEHONG BIO provides custom synthesis services for 10K-550S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.