BAS 00630690
TL;DR: BAS 00630690 (CAS 469890-66-2) is a chemical compound with molecular formula C25H23N3O5 and molecular weight 445.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3-[(2-methyl-5-nitrophenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
Also Known As: BAS 00630690, benzyl 3-((2-methyl-5-nitrophenyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate, benzyl 3-[(2-methyl-5-nitrophenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate, phenylmethyl 3-[({5-nitro-2-methylphenyl}amino)carbonyl]-3,4-dihydroisoquinoline-2(1H)-carboxylate
| Molecular Formula | C25H23N3O5 |
|---|---|
| Molecular Weight | 445.16 g/mol |
| LogP | 4.60542 |
| Topological Polar Surface Area | 101.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.16376 |
| Heavy Atoms | 33 |
| Complexity | 1195.6566 |
Chemical Identifiers
| CAS Number | 469890-66-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CC3=CC=CC=C3CN2C(=O)OCC4=CC=CC=C4 |
Product Overview
BAS 00630690 (CAS 469890-66-2), with molecular formula C25H23N3O5 and molecular weight 445.16 g/mol. IUPAC: benzyl 3-[(2-methyl-5-nitrophenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate.
Chemical Property Profile of BAS 00630690
Property Insights of BAS 00630690
The XLogP value of 4.60542 indicates that BAS 00630690 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.78 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00630690. Following Lipinski's Rule of Five, BAS 00630690 has 1 hydrogen bond donor(s) and 5 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 00630690?
The CAS number of BAS 00630690 is 469890-66-2.
What is the molecular formula of BAS 00630690?
The molecular formula of BAS 00630690 is C25H23N3O5.
What is the molecular weight of BAS 00630690?
The molecular weight of BAS 00630690 is 445.16 g/mol.
Where can I buy BAS 00630690?
You can request a quote for BAS 00630690 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00630690?
Yes, KEHONG BIO provides custom synthesis services for BAS 00630690 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.