EINECS 265-658-5
TL;DR: EINECS 265-658-5 (CAS 65244-18-0) is a chemical compound with molecular formula C17H18ClN5O4 and molecular weight 391.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-(4-chlorophenyl)-3,4,5,9,10-pentazatetracyclo[5.4.1.02,6.08,11]dodec-3-ene-9,10-dicarboxylate
Also Known As: EINECS 265-658-5, Dimethyl 1-(p-chlorophenyl)-3a,4,4a,6a,7,7a-hexahydro-4,7-methano-1H-(1,2)diazeto(3,4-f)benzotriazole-5,6-dicarboxylate, 1-(4-Chlorophenyl)-3a,4,4a,6a,7,7a-hexahydro-4,7-methano-1H-[1,2]diazete[3,4-f]benzotriazole-5,6-dicarboxylic acid dimethyl ester, 9,10-dimethyl 5-(4-chlorophenyl)-3,4,5,9,10-pentaazatetracyclo[5.4.1.02,6.08,11]dodec-3-ene-9,10-dicarboxylate, Dimethyl 1-(4-chlorophenyl)-3a,4,4a,6a,7,7a-hexahydro-1H-4,7-methano[1,2]diazeto[3,4-f][1,2,3]benzotriazole-5,6-dicarboxylate
| Molecular Formula | C17H18ClN5O4 |
|---|---|
| Molecular Weight | 391.10 g/mol |
| LogP | 2.7167 |
| Topological Polar Surface Area | 87.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 391.10474 |
| Heavy Atoms | 27 |
| Complexity | 833.1176 |
Chemical Identifiers
| CAS Number | 65244-18-0 |
|---|---|
| SMILES | COC(=O)N1C2C3CC(C2N1C(=O)OC)C4C3N=NN4C5=CC=C(C=C5)Cl |
Product Overview
EINECS 265-658-5 (CAS 65244-18-0), with molecular formula C17H18ClN5O4 and molecular weight 391.10 g/mol. IUPAC: dimethyl 5-(4-chlorophenyl)-3,4,5,9,10-pentazatetracyclo[5.4.1.02,6.08,11]dodec-3-ene-9,10-dicarboxylate.
Chemical Property Profile of EINECS 265-658-5
Property Insights of EINECS 265-658-5
The XLogP value of 2.7167 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 265-658-5. The TPSA of 87.04 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 265-658-5. Following Lipinski's Rule of Five, EINECS 265-658-5 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 EINECS 265-658-5?
The CAS number of EINECS 265-658-5 is 65244-18-0.
What is the molecular formula of EINECS 265-658-5?
The molecular formula of EINECS 265-658-5 is C17H18ClN5O4.
What is the molecular weight of EINECS 265-658-5?
The molecular weight of EINECS 265-658-5 is 391.10 g/mol.
Where can I buy EINECS 265-658-5?
You can request a quote for EINECS 265-658-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 265-658-5?
Yes, KEHONG BIO provides custom synthesis services for EINECS 265-658-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.