UPCMLD0ENAT0511-8667:001
TL;DR: UPCMLD0ENAT0511-8667:001 (CAS 372972-76-4) is a chemical compound with molecular formula C29H27N5O5 and molecular weight 525.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
Also Known As: UPCMLD0ENAT0511-8667:001, 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide, 2-amino-1-(benzo[d][1,3]dioxol-5-ylmethyl)-N-(3,4-dimethoxyphenethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
| Molecular Formula | C29H27N5O5 |
|---|---|
| Molecular Weight | 525.20 g/mol |
| LogP | 3.9334 |
| Topological Polar Surface Area | 122.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 525.20123 |
| Heavy Atoms | 39 |
| Complexity | 1714.2875 |
Chemical Identifiers
| CAS Number | 372972-76-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CC5=CC6=C(C=C5)OCO6)N)OC |
Product Overview
UPCMLD0ENAT0511-8667:001 (CAS 372972-76-4), with molecular formula C29H27N5O5 and molecular weight 525.20 g/mol. IUPAC: 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide.
Chemical Property Profile of UPCMLD0ENAT0511-8667:001
Property Insights of UPCMLD0ENAT0511-8667:001
The XLogP value of 3.9334 indicates that UPCMLD0ENAT0511-8667:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.75 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0511-8667:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0511-8667:001 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT0511-8667:001?
The CAS number of UPCMLD0ENAT0511-8667:001 is 372972-76-4.
What is the molecular formula of UPCMLD0ENAT0511-8667:001?
The molecular formula of UPCMLD0ENAT0511-8667:001 is C29H27N5O5.
What is the molecular weight of UPCMLD0ENAT0511-8667:001?
The molecular weight of UPCMLD0ENAT0511-8667:001 is 525.20 g/mol.
Where can I buy UPCMLD0ENAT0511-8667:001?
You can request a quote for UPCMLD0ENAT0511-8667:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0511-8667:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0511-8667:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.