UPCMLD0ENAT5227295:001
TL;DR: UPCMLD0ENAT5227295:001 (CAS 612802-46-7) is a chemical compound with molecular formula C18H21N5O3S3 and molecular weight 451.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide
Also Known As: UPCMLD0ENAT5227295:001, 4-(4-amino-5,6-dimethylthiopheno[2,3-d]pyrimidin-2-ylthio)-N-(4-sulfamoylpheny l)butanamide, 4-((4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-sulfamoylphenyl)butanamide, 4-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide, 4-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide
| Molecular Formula | C18H21N5O3S3 |
|---|---|
| Molecular Weight | 451.08 g/mol |
| LogP | 3.04874 |
| Topological Polar Surface Area | 141.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.08066 |
| Heavy Atoms | 29 |
| Complexity | 1157.6936 |
Chemical Identifiers
| CAS Number | 612802-46-7 |
|---|---|
| SMILES | CC1=C(SC2=NC(=NC(=C12)N)SCCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)C |
Product Overview
UPCMLD0ENAT5227295:001 (CAS 612802-46-7), with molecular formula C18H21N5O3S3 and molecular weight 451.08 g/mol. IUPAC: 4-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide.
Chemical Property Profile of UPCMLD0ENAT5227295:001
Property Insights of UPCMLD0ENAT5227295:001
The XLogP value of 3.04874 indicates that UPCMLD0ENAT5227295:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.06 Ų indicates high polarity, suggesting UPCMLD0ENAT5227295:001 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, UPCMLD0ENAT5227295:001 has 3 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 UPCMLD0ENAT5227295:001?
The CAS number of UPCMLD0ENAT5227295:001 is 612802-46-7.
What is the molecular formula of UPCMLD0ENAT5227295:001?
The molecular formula of UPCMLD0ENAT5227295:001 is C18H21N5O3S3.
What is the molecular weight of UPCMLD0ENAT5227295:001?
The molecular weight of UPCMLD0ENAT5227295:001 is 451.08 g/mol.
Where can I buy UPCMLD0ENAT5227295:001?
You can request a quote for UPCMLD0ENAT5227295:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5227295:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5227295:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.