2P-538S
TL;DR: 2P-538S (CAS 477887-76-6) is a chemical compound with molecular formula C24H22N2O6S3 and molecular weight 530.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[2-[2-[[2-(2-methoxycarbonylphenyl)sulfanylacetyl]amino]phenyl]sulfanylacetyl]amino]thiophene-2-carboxylate
Also Known As: 2P-538S, methyl 3-{[2-({2-[(2-{[2-(methoxycarbonyl)phenyl]sulfanyl}acetyl)amino]phenyl}sulfanyl)acetyl]amino}-2-thiophenecarboxylate, methyl 3-[[2-[2-[[2-(2-methoxycarbonylphenyl)sulfanylacetyl]amino]phenyl]sulfanylacetyl]amino]thiophene-2-carboxylate, methyl 3-(2-{[2-(2-{[2-(methoxycarbonyl)phenyl]sulfanyl}acetamido)phenyl]sulfanyl}acetamido)thiophene-2-carboxylate, methyl3-(2-{[2-(2-{[2-(methoxycarbonyl)phenyl]sulfanyl}acetamido)phenyl]sulfanyl}acetamido)thiophene-2-carboxylate
| Molecular Formula | C24H22N2O6S3 |
|---|---|
| Molecular Weight | 530.06 g/mol |
| LogP | 4.7829 |
| Topological Polar Surface Area | 110.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 530.064 |
| Heavy Atoms | 35 |
| Complexity | 1227.2284 |
Chemical Identifiers
| CAS Number | 477887-76-6 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1SCC(=O)NC2=CC=CC=C2SCC(=O)NC3=C(SC=C3)C(=O)OC |
Product Overview
2P-538S (CAS 477887-76-6), with molecular formula C24H22N2O6S3 and molecular weight 530.06 g/mol. IUPAC: methyl 3-[[2-[2-[[2-(2-methoxycarbonylphenyl)sulfanylacetyl]amino]phenyl]sulfanylacetyl]amino]thiophene-2-carboxylate.
Chemical Property Profile of 2P-538S
Property Insights of 2P-538S
The XLogP value of 4.7829 indicates that 2P-538S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2P-538S. Following Lipinski's Rule of Five, 2P-538S has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2P-538S?
The CAS number of 2P-538S is 477887-76-6.
What is the molecular formula of 2P-538S?
The molecular formula of 2P-538S is C24H22N2O6S3.
What is the molecular weight of 2P-538S?
The molecular weight of 2P-538S is 530.06 g/mol.
Where can I buy 2P-538S?
You can request a quote for 2P-538S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2P-538S?
Yes, KEHONG BIO provides custom synthesis services for 2P-538S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.