BAS 00381658
TL;DR: BAS 00381658 (CAS 5475-60-5) is a chemical compound with molecular formula C24H28INO3 and molecular weight 505.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopentyl 4-(3-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00381658, cyclopentyl 4-(3-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, cyclopentyl 4-(3-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, cyclopentyl 4-(3-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, cyclopentyl 4-(3-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,7,8-pentahydroquinoli ne-3-carboxylate
| Molecular Formula | C24H28INO3 |
|---|---|
| Molecular Weight | 505.11 g/mol |
| LogP | 5.381 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 505.1114 |
| Heavy Atoms | 29 |
| Complexity | 921.8084 |
Chemical Identifiers
| CAS Number | 5475-60-5 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)I)C(=O)OC4CCCC4 |
Product Overview
BAS 00381658 (CAS 5475-60-5), with molecular formula C24H28INO3 and molecular weight 505.11 g/mol. IUPAC: cyclopentyl 4-(3-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 00381658
Property Insights of BAS 00381658
The XLogP value of 5.381 indicates that BAS 00381658 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, BAS 00381658 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00381658 has 1 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 BAS 00381658?
The CAS number of BAS 00381658 is 5475-60-5.
What is the molecular formula of BAS 00381658?
The molecular formula of BAS 00381658 is C24H28INO3.
What is the molecular weight of BAS 00381658?
The molecular weight of BAS 00381658 is 505.11 g/mol.
Where can I buy BAS 00381658?
You can request a quote for BAS 00381658 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00381658?
Yes, KEHONG BIO provides custom synthesis services for BAS 00381658 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.