UPCMLD0ENAT5868149:001
TL;DR: UPCMLD0ENAT5868149:001 (CAS 873076-82-5) is a chemical compound with molecular formula C22H21N5O3 and molecular weight 403.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: UPCMLD0ENAT5868149:001, VU0489878-1, F2013-0206, 1,3-dimethyl-9-(4-phenoxyphenyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione, 1,3-dimethyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
| Molecular Formula | C22H21N5O3 |
|---|---|
| Molecular Weight | 403.16 g/mol |
| LogP | 2.7678 |
| Topological Polar Surface Area | 74.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.16443 |
| Heavy Atoms | 30 |
| Complexity | 1350.2899 |
Chemical Identifiers
| CAS Number | 873076-82-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3CCCN(C3=N2)C4=CC=C(C=C4)OC5=CC=CC=C5 |
Product Overview
UPCMLD0ENAT5868149:001 (CAS 873076-82-5), with molecular formula C22H21N5O3 and molecular weight 403.16 g/mol. IUPAC: 1,3-dimethyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of UPCMLD0ENAT5868149:001
Property Insights of UPCMLD0ENAT5868149:001
The XLogP value of 2.7678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5868149:001. The TPSA of 74.29 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5868149:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5868149:001 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 UPCMLD0ENAT5868149:001?
The CAS number of UPCMLD0ENAT5868149:001 is 873076-82-5.
What is the molecular formula of UPCMLD0ENAT5868149:001?
The molecular formula of UPCMLD0ENAT5868149:001 is C22H21N5O3.
What is the molecular weight of UPCMLD0ENAT5868149:001?
The molecular weight of UPCMLD0ENAT5868149:001 is 403.16 g/mol.
Where can I buy UPCMLD0ENAT5868149:001?
You can request a quote for UPCMLD0ENAT5868149:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5868149:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5868149:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.