A3357/0142502
TL;DR: A3357/0142502 (CAS 1031210-85-1) is a chemical compound with molecular formula C27H25N3O6 and molecular weight 487.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Also Known As: A3357/0142502, 1-(4-methoxy-3-((3-methyl-4-nitrophenoxy)methyl)phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid, 1-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid, 1-{4-METHOXY-3-[(3-METHYL-4-NITROPHENOXY)METHYL]PHENYL}-1H,2H,3H,4H,9H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLIC ACID, 1-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
| Molecular Formula | C27H25N3O6 |
|---|---|
| Molecular Weight | 487.17 g/mol |
| LogP | 4.66042 |
| Topological Polar Surface Area | 126.72 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.17435 |
| Heavy Atoms | 36 |
| Complexity | 1477.8981 |
Chemical Identifiers
| CAS Number | 1031210-85-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)C3C4=C(CC(N3)C(=O)O)C5=CC=CC=C5N4)OC)[N+](=O)[O-] |
Product Overview
A3357/0142502 (CAS 1031210-85-1), with molecular formula C27H25N3O6 and molecular weight 487.17 g/mol. IUPAC: 1-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid.
Chemical Property Profile of A3357/0142502
Property Insights of A3357/0142502
The XLogP value of 4.66042 indicates that A3357/0142502 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.72 Ų falls within the moderate polarity range, balancing permeability and solubility for A3357/0142502. Following Lipinski's Rule of Five, A3357/0142502 has 3 hydrogen bond donor(s) and 6 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 A3357/0142502?
The CAS number of A3357/0142502 is 1031210-85-1.
What is the molecular formula of A3357/0142502?
The molecular formula of A3357/0142502 is C27H25N3O6.
What is the molecular weight of A3357/0142502?
The molecular weight of A3357/0142502 is 487.17 g/mol.
Where can I buy A3357/0142502?
You can request a quote for A3357/0142502 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3357/0142502?
Yes, KEHONG BIO provides custom synthesis services for A3357/0142502 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.