5-25-09-00109 (Beilstein Handbook Reference)
TL;DR: 5-25-09-00109 (Beilstein Handbook Reference) (CAS 35514-34-2) is a chemical compound with molecular formula C13H11ClN2O5 and molecular weight 310.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E)-2-(8-chloro-7-methoxy-3,5-dioxo-1H-1,4-benzodiazepin-2-ylidene)acetate
Also Known As: 5-25-09-00109 (Beilstein Handbook Reference), methyl (2E)-2-(8-chloro-7-methoxy-3,5-dioxo-1H-1,4-benzodiazepin-2-ylidene)acetate, Acetic acid, (8-chloro-3,5-dioxo-7-methoxy-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-ylidene)-, methyl ester
| Molecular Formula | C13H11ClN2O5 |
|---|---|
| Molecular Weight | 310.04 g/mol |
| LogP | 1.0874 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.03564 |
| Heavy Atoms | 21 |
| Complexity | 668.7706 |
Chemical Identifiers
| CAS Number | 35514-34-2 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=O)NC(=O)/C(=C\C(=O)OC)/N2)Cl |
Product Overview
5-25-09-00109 (Beilstein Handbook Reference) (CAS 35514-34-2), with molecular formula C13H11ClN2O5 and molecular weight 310.04 g/mol. IUPAC: methyl (2E)-2-(8-chloro-7-methoxy-3,5-dioxo-1H-1,4-benzodiazepin-2-ylidene)acetate.
Chemical Property Profile of 5-25-09-00109 (Beilstein Handbook Reference)
Property Insights of 5-25-09-00109 (Beilstein Handbook Reference)
The XLogP value of 1.0874 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-25-09-00109 (Beilstein Handbook Reference). The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-25-09-00109 (Beilstein Handbook Reference). Following Lipinski's Rule of Five, 5-25-09-00109 (Beilstein Handbook Reference) has 2 hydrogen bond donor(s) and 6 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 5-25-09-00109 (Beilstein Handbook Reference)?
The CAS number of 5-25-09-00109 (Beilstein Handbook Reference) is 35514-34-2.
What is the molecular formula of 5-25-09-00109 (Beilstein Handbook Reference)?
The molecular formula of 5-25-09-00109 (Beilstein Handbook Reference) is C13H11ClN2O5.
What is the molecular weight of 5-25-09-00109 (Beilstein Handbook Reference)?
The molecular weight of 5-25-09-00109 (Beilstein Handbook Reference) is 310.04 g/mol.
Where can I buy 5-25-09-00109 (Beilstein Handbook Reference)?
You can request a quote for 5-25-09-00109 (Beilstein Handbook Reference) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-25-09-00109 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-25-09-00109 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.