UPCMLD0ENAT5832983:001
TL;DR: UPCMLD0ENAT5832983:001 (CAS 501352-39-2) is a chemical compound with molecular formula C22H26N6O3S and molecular weight 454.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(azepan-1-yl)-7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-1,3-dimethylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5832983:001, AB00434140-04, AB00434140-10, 8-(azepan-1-yl)-7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-1,3-dimethylpurine-2,6-dione, 8-(azepan-1-yl)-7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C22H26N6O3S |
|---|---|
| Molecular Weight | 454.18 g/mol |
| LogP | 2.7476 |
| Topological Polar Surface Area | 91.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.1787 |
| Heavy Atoms | 32 |
| Complexity | 1357.6799 |
Chemical Identifiers
| CAS Number | 501352-39-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCCC3)CCSC4=NC5=CC=CC=C5O4 |
Product Overview
UPCMLD0ENAT5832983:001 (CAS 501352-39-2), with molecular formula C22H26N6O3S and molecular weight 454.18 g/mol. IUPAC: 8-(azepan-1-yl)-7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5832983:001
Property Insights of UPCMLD0ENAT5832983:001
The XLogP value of 2.7476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5832983:001. The TPSA of 91.09 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5832983:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5832983:001 has 0 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 UPCMLD0ENAT5832983:001?
The CAS number of UPCMLD0ENAT5832983:001 is 501352-39-2.
What is the molecular formula of UPCMLD0ENAT5832983:001?
The molecular formula of UPCMLD0ENAT5832983:001 is C22H26N6O3S.
What is the molecular weight of UPCMLD0ENAT5832983:001?
The molecular weight of UPCMLD0ENAT5832983:001 is 454.18 g/mol.
Where can I buy UPCMLD0ENAT5832983:001?
You can request a quote for UPCMLD0ENAT5832983:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5832983:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5832983:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.