![methyl dichloro(phenyl)[?]carboxylate structure](/static/products/1293/129337-87-7.webp)
methyl dichloro(phenyl)[?]carboxylate
TL;DR: methyl dichloro(phenyl)[?]carboxylate (CAS 129337-87-7) is a chemical compound with molecular formula C28H20Cl2N2O2 and molecular weight 486.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6,20-dichloro-13-phenyl-5,21-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene-2-carboxylate
Also Known As: methyl dichloro(phenyl)[?]carboxylate, NCI60_015572, 2,12-Dichloro-7-phenyl-5,6,8,9-tetrahydro-1,13-diaza-dibenzo[a,j]anthracene-14-carboxylic acid methyl ester, Benzo[1,2-h:5,4-ha(2)]diquinoline-14-carboxylic acid, 2,12-dichloro-5,6,8,9-tetrahydro-7-phenyl-, methyl ester
| Molecular Formula | C28H20Cl2N2O2 |
|---|---|
| Molecular Weight | 486.09 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 486.09018 |
| Heavy Atoms | 34 |
| Complexity | 702.0 |
Chemical Identifiers
| CAS Number | 129337-87-7 |
|---|---|
| SMILES | COC(=O)C1=C2C(=C(C3=C1C4=C(CC3)C=CC(=N4)Cl)C5=CC=CC=C5)CCC6=C2N=C(C=C6)Cl |
| InChIKey | OYTWSNWGCZOUQI-UHFFFAOYSA-N |
Product Overview
methyl dichloro(phenyl)[?]carboxylate (CAS 129337-87-7), with molecular formula C28H20Cl2N2O2 and molecular weight 486.09 g/mol. IUPAC: methyl 6,20-dichloro-13-phenyl-5,21-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene-2-carboxylate.
Chemical Property Profile of methyl dichloro(phenyl)[?]carboxylate
Property Insights of methyl dichloro(phenyl)[?]carboxylate
The XLogP value of 7.1 indicates that methyl dichloro(phenyl)[?]carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.1 Ų, methyl dichloro(phenyl)[?]carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl dichloro(phenyl)[?]carboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl dichloro(phenyl)[?]carboxylate?
The CAS number of methyl dichloro(phenyl)[?]carboxylate is 129337-87-7.
What is the molecular formula of methyl dichloro(phenyl)[?]carboxylate?
The molecular formula of methyl dichloro(phenyl)[?]carboxylate is C28H20Cl2N2O2.
What is the molecular weight of methyl dichloro(phenyl)[?]carboxylate?
The molecular weight of methyl dichloro(phenyl)[?]carboxylate is 486.09 g/mol.
Where can I buy methyl dichloro(phenyl)[?]carboxylate?
You can request a quote for methyl dichloro(phenyl)[?]carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl dichloro(phenyl)[?]carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl dichloro(phenyl)[?]carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.