UPCMLD0ENAT0505-5060:001
TL;DR: UPCMLD0ENAT0505-5060:001 (CAS 438029-16-4) is a chemical compound with molecular formula C27H28N2O8S2 and molecular weight 572.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxylate
Also Known As: UPCMLD0ENAT0505-5060:001, F0526-1934, ethyl 5-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-[4-(morpholine-4-sulfonyl)benzamido]thiophene-3-carboxylate, ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxylate, ethyl 5-(benzo[d][1,3]dioxol-5-ylmethyl)-4-methyl-2-(4-(morpholinosulfonyl)benzamido)thiophene-3-carboxylate
| Molecular Formula | C27H28N2O8S2 |
|---|---|
| Molecular Weight | 572.13 g/mol |
| LogP | 3.82592 |
| Topological Polar Surface Area | 120.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 572.1287 |
| Heavy Atoms | 39 |
| Complexity | 1492.67 |
Chemical Identifiers
| CAS Number | 438029-16-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5 |
Product Overview
UPCMLD0ENAT0505-5060:001 (CAS 438029-16-4), with molecular formula C27H28N2O8S2 and molecular weight 572.13 g/mol. IUPAC: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of UPCMLD0ENAT0505-5060:001
Property Insights of UPCMLD0ENAT0505-5060:001
The XLogP value of 3.82592 indicates that UPCMLD0ENAT0505-5060:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.47 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0505-5060:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0505-5060:001 has 1 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 UPCMLD0ENAT0505-5060:001?
The CAS number of UPCMLD0ENAT0505-5060:001 is 438029-16-4.
What is the molecular formula of UPCMLD0ENAT0505-5060:001?
The molecular formula of UPCMLD0ENAT0505-5060:001 is C27H28N2O8S2.
What is the molecular weight of UPCMLD0ENAT0505-5060:001?
The molecular weight of UPCMLD0ENAT0505-5060:001 is 572.13 g/mol.
Where can I buy UPCMLD0ENAT0505-5060:001?
You can request a quote for UPCMLD0ENAT0505-5060:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0505-5060:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0505-5060:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.