BAS 03604590
TL;DR: BAS 03604590 (CAS 474089-62-8) is a chemical compound with molecular formula C27H31N3O3 and molecular weight 445.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide
Also Known As: BAS 03604590, 4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide, 4-(1,3-DIOXO-HEXAHYDROISOINDOL-2-YL)-N-[4-(PYRIDIN-4-YLMETHYL)PHENYL]CYCLOHEXANE-1-CARBOXAMIDE, 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexanecarboxamide, Cambridge id 6821633
| Molecular Formula | C27H31N3O3 |
|---|---|
| Molecular Weight | 445.24 g/mol |
| LogP | 4.3449 |
| Topological Polar Surface Area | 79.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.23654 |
| Heavy Atoms | 33 |
| Complexity | 988.66693 |
Chemical Identifiers
| CAS Number | 474089-62-8 |
|---|---|
| SMILES | C1CCC2C(C1)C(=O)N(C2=O)C3CCC(CC3)C(=O)NC4=CC=C(C=C4)CC5=CC=NC=C5 |
Product Overview
BAS 03604590 (CAS 474089-62-8), with molecular formula C27H31N3O3 and molecular weight 445.24 g/mol. IUPAC: 4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide.
Chemical Property Profile of BAS 03604590
Property Insights of BAS 03604590
The XLogP value of 4.3449 indicates that BAS 03604590 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.37 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03604590. Following Lipinski's Rule of Five, BAS 03604590 has 1 hydrogen bond donor(s) and 4 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 BAS 03604590?
The CAS number of BAS 03604590 is 474089-62-8.
What is the molecular formula of BAS 03604590?
The molecular formula of BAS 03604590 is C27H31N3O3.
What is the molecular weight of BAS 03604590?
The molecular weight of BAS 03604590 is 445.24 g/mol.
Where can I buy BAS 03604590?
You can request a quote for BAS 03604590 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03604590?
Yes, KEHONG BIO provides custom synthesis services for BAS 03604590 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.