UPCMLD0ENAT0503-3618:001
TL;DR: UPCMLD0ENAT0503-3618:001 (CAS 307512-37-4) is a chemical compound with molecular formula C19H20N4O3S2 and molecular weight 416.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: UPCMLD0ENAT0503-3618:001, F0825-0251, ethyl 2-(2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ETHYL 2-(2-{[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YLSULFANYL}ACETAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, ethyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C19H20N4O3S2 |
|---|---|
| Molecular Weight | 416.10 g/mol |
| LogP | 3.5771 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.0977 |
| Heavy Atoms | 28 |
| Complexity | 1027.5325 |
Chemical Identifiers
| CAS Number | 307512-37-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C4N3C=CC=C4 |
Product Overview
UPCMLD0ENAT0503-3618:001 (CAS 307512-37-4), with molecular formula C19H20N4O3S2 and molecular weight 416.10 g/mol. IUPAC: ethyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of UPCMLD0ENAT0503-3618:001
Property Insights of UPCMLD0ENAT0503-3618:001
The XLogP value of 3.5771 indicates that UPCMLD0ENAT0503-3618:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0503-3618:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0503-3618:001 has 1 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 UPCMLD0ENAT0503-3618:001?
The CAS number of UPCMLD0ENAT0503-3618:001 is 307512-37-4.
What is the molecular formula of UPCMLD0ENAT0503-3618:001?
The molecular formula of UPCMLD0ENAT0503-3618:001 is C19H20N4O3S2.
What is the molecular weight of UPCMLD0ENAT0503-3618:001?
The molecular weight of UPCMLD0ENAT0503-3618:001 is 416.10 g/mol.
Where can I buy UPCMLD0ENAT0503-3618:001?
You can request a quote for UPCMLD0ENAT0503-3618:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0503-3618:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0503-3618:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.