UPCMLD0ENAT0513-8350:001
TL;DR: UPCMLD0ENAT0513-8350:001 (CAS 379243-90-0) is a chemical compound with molecular formula C23H23N5OS and molecular weight 417.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-(1-phenyltetrazol-5-yl)sulfanylethanone
Also Known As: UPCMLD0ENAT0513-8350:001, AF-399/40654487, 1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-(1-phenyltetrazol-5-yl)sulfanylethanone, 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]ethanone, 1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-(1-phenyl(1,2,3,4-tetraaz ol-5-ylthio))ethan-1-one
| Molecular Formula | C23H23N5OS |
|---|---|
| Molecular Weight | 417.16 g/mol |
| LogP | 4.66168 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.16232 |
| Heavy Atoms | 30 |
| Complexity | 1209.819 |
Chemical Identifiers
| CAS Number | 379243-90-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NN=NN3C4=CC=CC=C4)C)C |
Product Overview
UPCMLD0ENAT0513-8350:001 (CAS 379243-90-0), with molecular formula C23H23N5OS and molecular weight 417.16 g/mol. IUPAC: 1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-(1-phenyltetrazol-5-yl)sulfanylethanone.
Chemical Property Profile of UPCMLD0ENAT0513-8350:001
Property Insights of UPCMLD0ENAT0513-8350:001
The XLogP value of 4.66168 indicates that UPCMLD0ENAT0513-8350:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0513-8350:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0513-8350:001 has 0 hydrogen bond donor(s) and 5 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 UPCMLD0ENAT0513-8350:001?
The CAS number of UPCMLD0ENAT0513-8350:001 is 379243-90-0.
What is the molecular formula of UPCMLD0ENAT0513-8350:001?
The molecular formula of UPCMLD0ENAT0513-8350:001 is C23H23N5OS.
What is the molecular weight of UPCMLD0ENAT0513-8350:001?
The molecular weight of UPCMLD0ENAT0513-8350:001 is 417.16 g/mol.
Where can I buy UPCMLD0ENAT0513-8350:001?
You can request a quote for UPCMLD0ENAT0513-8350:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0513-8350:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0513-8350:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.