UPCMLD0ENAT0509-3764:001
TL;DR: UPCMLD0ENAT0509-3764:001 (CAS 313662-72-5) is a chemical compound with molecular formula C21H24N2O5S2 and molecular weight 448.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: UPCMLD0ENAT0509-3764:001, F0016-0703, ETHYL 2-[4-(PYRROLIDINE-1-SULFONYL)BENZAMIDO]-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE, ethyl 2-(4-(pyrrolidin-1-ylsulfonyl)benzamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C21H24N2O5S2 |
|---|---|
| Molecular Weight | 448.11 g/mol |
| LogP | 3.4503 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.11267 |
| Heavy Atoms | 30 |
| Complexity | 1067.5615 |
Chemical Identifiers
| CAS Number | 313662-72-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4 |
Product Overview
UPCMLD0ENAT0509-3764:001 (CAS 313662-72-5), with molecular formula C21H24N2O5S2 and molecular weight 448.11 g/mol. IUPAC: ethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of UPCMLD0ENAT0509-3764:001
Property Insights of UPCMLD0ENAT0509-3764:001
The XLogP value of 3.4503 indicates that UPCMLD0ENAT0509-3764:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0509-3764:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0509-3764:001 has 1 hydrogen bond donor(s) and 6 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 UPCMLD0ENAT0509-3764:001?
The CAS number of UPCMLD0ENAT0509-3764:001 is 313662-72-5.
What is the molecular formula of UPCMLD0ENAT0509-3764:001?
The molecular formula of UPCMLD0ENAT0509-3764:001 is C21H24N2O5S2.
What is the molecular weight of UPCMLD0ENAT0509-3764:001?
The molecular weight of UPCMLD0ENAT0509-3764:001 is 448.11 g/mol.
Where can I buy UPCMLD0ENAT0509-3764:001?
You can request a quote for UPCMLD0ENAT0509-3764:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0509-3764:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0509-3764:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.