BAS 13029570
TL;DR: BAS 13029570 (CAS 383377-41-1) is a chemical compound with molecular formula C19H21N5O4 and molecular weight 383.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-methyl-10-(4-methylphenyl)-2,4-dioxo-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepin-3-yl]acetic acid
Also Known As: BAS 13029570, 2-[1-methyl-10-(4-methylphenyl)-2,4-dioxo-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepin-3-yl]acetic acid, [1-methyl-10-(4-methylphenyl)-2,4-dioxo-1,2,4,6,7,8,9,10-octahydro-3H-[1,3]diazepino[2,1-f]purin-3-yl]acetic acid, 2-(1-methyl-2,4-dioxo-10-(p-tolyl)-7,8,9,10-tetrahydro-1H-[1,3]diazepino[2,1-f]purin-3(2H,4H,6H)-yl)acetic acid, 2-[1-methyl-10-(4-methylphenyl)-2,4-dioxo-1,3,5-trihydro-6H,7H,8H,9H-1,3-diaza perhydroepino[1,2-h]purin-3-yl]acetic acid
| Molecular Formula | C19H21N5O4 |
|---|---|
| Molecular Weight | 383.16 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.15936 |
| Heavy Atoms | 28 |
| Complexity | 650.0 |
Chemical Identifiers
| CAS Number | 383377-41-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2CCCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)O |
| InChIKey | JGAVPESPGZMFAW-UHFFFAOYSA-N |
Product Overview
BAS 13029570 (CAS 383377-41-1), with molecular formula C19H21N5O4 and molecular weight 383.16 g/mol. IUPAC: 2-[1-methyl-10-(4-methylphenyl)-2,4-dioxo-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepin-3-yl]acetic acid.
Chemical Property Profile of BAS 13029570
Property Insights of BAS 13029570
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13029570. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13029570. Following Lipinski's Rule of Five, BAS 13029570 has 1 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 BAS 13029570?
The CAS number of BAS 13029570 is 383377-41-1.
What is the molecular formula of BAS 13029570?
The molecular formula of BAS 13029570 is C19H21N5O4.
What is the molecular weight of BAS 13029570?
The molecular weight of BAS 13029570 is 383.16 g/mol.
Where can I buy BAS 13029570?
You can request a quote for BAS 13029570 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13029570?
Yes, KEHONG BIO provides custom synthesis services for BAS 13029570 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.