RefChem:312599
TL;DR: RefChem:312599 (CAS 14978-20-2) is a chemical compound with molecular formula C27H30ClN5O3 and molecular weight 507.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-1,3-dimethyl-7H-purine-2,6-dione;N,N-dimethyl-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethanamine
Also Known As: 9,10-Dihydro-9-(2-(dimethylamino)ethoxy)-9,10-ethanoanthracene 8-chlorotheophylline, 9,10-Ethanoanthracene, 9,10-dihydro-9-(2-(dimethylamino)ethoxy)-, 8-chlorotheophylline, 9-(2-(Dimethylamino)ethoxy)-9,10-dihydro-9,10-ethanoanthracene 8-chlorotheophylline, 9,10-Dihydro-9-(2-(dimethylamino)ethoxy)-9,10-ethanoanthrace, 9,10-Ethanoanthracene,9,10-dihydro-9-(2-(dimethylamino)ethoxy)-,8-chlorotheophylline
| Molecular Formula | C27H30ClN5O3 |
|---|---|
| Molecular Weight | 507.20 g/mol |
| LogP | 3.228 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 507.2037 |
| Heavy Atoms | 36 |
| Complexity | 655.0 |
Chemical Identifiers
| CAS Number | 14978-20-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl.CN(C)CCOC1CC2C3=CC=CC=C3C1C4=CC=CC=C24 |
| InChIKey | SBMRPVCAHFWHPW-UHFFFAOYSA-N |
Product Overview
RefChem:312599 (CAS 14978-20-2), with molecular formula C27H30ClN5O3 and molecular weight 507.20 g/mol. IUPAC: 8-chloro-1,3-dimethyl-7H-purine-2,6-dione;N,N-dimethyl-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethanamine.
Chemical Property Profile of RefChem:312599
Property Insights of RefChem:312599
The XLogP value of 3.228 indicates that RefChem:312599 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:312599. Following Lipinski's Rule of Five, RefChem:312599 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:312599?
The CAS number of RefChem:312599 is 14978-20-2.
What is the molecular formula of RefChem:312599?
The molecular formula of RefChem:312599 is C27H30ClN5O3.
What is the molecular weight of RefChem:312599?
The molecular weight of RefChem:312599 is 507.20 g/mol.
Where can I buy RefChem:312599?
You can request a quote for RefChem:312599 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:312599?
Yes, KEHONG BIO provides custom synthesis services for RefChem:312599 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.