UPCMLD0ENAT0513-7808:001
TL;DR: UPCMLD0ENAT0513-7808:001 (CAS 381687-97-4) is a chemical compound with molecular formula C20H30N2O4S and molecular weight 394.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: UPCMLD0ENAT0513-7808:001, AF-399/15336018, ethyl 2-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-{[(2,6-dimethyl-4-morpholinyl)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(2-(2,6-dimethylmorpholino)acetamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C20H30N2O4S |
|---|---|
| Molecular Weight | 394.19 g/mol |
| LogP | 3.0973 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.19263 |
| Heavy Atoms | 27 |
| Complexity | 692.399 |
Chemical Identifiers
| CAS Number | 381687-97-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CN3CC(OC(C3)C)C |
Product Overview
UPCMLD0ENAT0513-7808:001 (CAS 381687-97-4), with molecular formula C20H30N2O4S and molecular weight 394.19 g/mol. IUPAC: ethyl 2-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of UPCMLD0ENAT0513-7808:001
Property Insights of UPCMLD0ENAT0513-7808:001
The XLogP value of 3.0973 indicates that UPCMLD0ENAT0513-7808:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0513-7808:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0513-7808:001 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 UPCMLD0ENAT0513-7808:001?
The CAS number of UPCMLD0ENAT0513-7808:001 is 381687-97-4.
What is the molecular formula of UPCMLD0ENAT0513-7808:001?
The molecular formula of UPCMLD0ENAT0513-7808:001 is C20H30N2O4S.
What is the molecular weight of UPCMLD0ENAT0513-7808:001?
The molecular weight of UPCMLD0ENAT0513-7808:001 is 394.19 g/mol.
Where can I buy UPCMLD0ENAT0513-7808:001?
You can request a quote for UPCMLD0ENAT0513-7808:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0513-7808:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0513-7808:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.