BAS 00380867
TL;DR: BAS 00380867 (CAS 313233-52-2) is a chemical compound with molecular formula C22H25Cl2NO4 and molecular weight 437.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3,5-dichloro-2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00380867, ethyl 4-(3,5-dichloro-2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, A1212/0055869, ethyl 4-(3,5-dichloro-2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, ethyl 4-(3,5-dichloro-2-methoxyphenyl)-5-hydroxy-2,7,7-trimethyl-4,6,7,8-tetrahydroquinoline-3-carboxylate
| Molecular Formula | C22H25Cl2NO4 |
|---|---|
| Molecular Weight | 437.12 g/mol |
| LogP | 5.1691 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 437.11606 |
| Heavy Atoms | 29 |
| Complexity | 946.3758 |
Chemical Identifiers
| CAS Number | 313233-52-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=C(C1C3=C(C(=CC(=C3)Cl)Cl)OC)C(=O)CC(C2)(C)C)C |
Product Overview
BAS 00380867 (CAS 313233-52-2), with molecular formula C22H25Cl2NO4 and molecular weight 437.12 g/mol. IUPAC: ethyl 4-(3,5-dichloro-2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 00380867
Property Insights of BAS 00380867
The XLogP value of 5.1691 indicates that BAS 00380867 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00380867. Following Lipinski's Rule of Five, BAS 00380867 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 BAS 00380867?
The CAS number of BAS 00380867 is 313233-52-2.
What is the molecular formula of BAS 00380867?
The molecular formula of BAS 00380867 is C22H25Cl2NO4.
What is the molecular weight of BAS 00380867?
The molecular weight of BAS 00380867 is 437.12 g/mol.
Where can I buy BAS 00380867?
You can request a quote for BAS 00380867 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00380867?
Yes, KEHONG BIO provides custom synthesis services for BAS 00380867 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.