UPCMLD0ENAT0513-7427:001
TL;DR: UPCMLD0ENAT0513-7427:001 (CAS 379246-58-9) is a chemical compound with molecular formula C22H25N3O4S3 and molecular weight 491.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: UPCMLD0ENAT0513-7427:001, AF-399/40684384, ethyl 2-({[(3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate, ethyl 2-({[(3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio]acetyl}amino)-4,5-dimethyl-3-thiophenecarboxylate, ethyl 2-(2-((3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C22H25N3O4S3 |
|---|---|
| Molecular Weight | 491.10 g/mol |
| LogP | 4.84668 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 491.1007 |
| Heavy Atoms | 32 |
| Complexity | 1269.9092 |
Chemical Identifiers
| CAS Number | 379246-58-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NC3=C(C(=C(S3)C)C)C(=O)N2CC=C |
Product Overview
UPCMLD0ENAT0513-7427:001 (CAS 379246-58-9), with molecular formula C22H25N3O4S3 and molecular weight 491.10 g/mol. IUPAC: ethyl 2-[[2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of UPCMLD0ENAT0513-7427:001
Property Insights of UPCMLD0ENAT0513-7427:001
The XLogP value of 4.84668 indicates that UPCMLD0ENAT0513-7427:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0513-7427:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0513-7427:001 has 1 hydrogen bond donor(s) and 8 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 UPCMLD0ENAT0513-7427:001?
The CAS number of UPCMLD0ENAT0513-7427:001 is 379246-58-9.
What is the molecular formula of UPCMLD0ENAT0513-7427:001?
The molecular formula of UPCMLD0ENAT0513-7427:001 is C22H25N3O4S3.
What is the molecular weight of UPCMLD0ENAT0513-7427:001?
The molecular weight of UPCMLD0ENAT0513-7427:001 is 491.10 g/mol.
Where can I buy UPCMLD0ENAT0513-7427:001?
You can request a quote for UPCMLD0ENAT0513-7427:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0513-7427:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0513-7427:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.