5P-309S
TL;DR: 5P-309S (CAS 866038-87-1) is a chemical compound with molecular formula C22H20N2O5S2 and molecular weight 456.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[2-[2-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetyl]amino]thiophene-2-carboxylate
Also Known As: 5P-309S, Methyl 3-[[2-[2-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetyl]amino]thiophene-2-carboxylate, methyl 3-{[2-({2-[(2-phenoxyacetyl)amino]phenyl}sulfanyl)acetyl]amino}-2-thiophenecarboxylate, methyl 3-(2-{[2-(2-phenoxyacetamido)phenyl]sulfanyl}acetamido)thiophene-2-carboxylate, methyl3-(2-{[2-(2-phenoxyacetamido)phenyl]sulfanyl}acetamido)thiophene-2-carboxylate
| Molecular Formula | C22H20N2O5S2 |
|---|---|
| Molecular Weight | 456.08 g/mol |
| LogP | 4.283 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 456.08136 |
| Heavy Atoms | 31 |
| Complexity | 1052.8196 |
Chemical Identifiers
| CAS Number | 866038-87-1 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)NC(=O)CSC2=CC=CC=C2NC(=O)COC3=CC=CC=C3 |
Product Overview
5P-309S (CAS 866038-87-1), with molecular formula C22H20N2O5S2 and molecular weight 456.08 g/mol. IUPAC: methyl 3-[[2-[2-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetyl]amino]thiophene-2-carboxylate.
Chemical Property Profile of 5P-309S
Property Insights of 5P-309S
The XLogP value of 4.283 indicates that 5P-309S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 5P-309S. Following Lipinski's Rule of Five, 5P-309S has 2 hydrogen bond donor(s) and 7 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 5P-309S?
The CAS number of 5P-309S is 866038-87-1.
What is the molecular formula of 5P-309S?
The molecular formula of 5P-309S is C22H20N2O5S2.
What is the molecular weight of 5P-309S?
The molecular weight of 5P-309S is 456.08 g/mol.
Where can I buy 5P-309S?
You can request a quote for 5P-309S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5P-309S?
Yes, KEHONG BIO provides custom synthesis services for 5P-309S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.