BAS 01122503
TL;DR: BAS 01122503 (CAS 332103-43-2) is a chemical compound with molecular formula C18H20N4O4S and molecular weight 388.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylpropanoic acid
Also Known As: BAS 01122503, AB01286574-01, 3-{[1,3-dimethyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}propanoic acid, 3-[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylpropanoic acid, 3-((1,3-dimethyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoic acid
| Molecular Formula | C18H20N4O4S |
|---|---|
| Molecular Weight | 388.12 g/mol |
| LogP | 1.35722 |
| Topological Polar Surface Area | 99.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.1205 |
| Heavy Atoms | 27 |
| Complexity | 1125.4447 |
Chemical Identifiers
| CAS Number | 332103-43-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(N=C2SCCC(=O)O)N(C(=O)N(C3=O)C)C |
Product Overview
BAS 01122503 (CAS 332103-43-2), with molecular formula C18H20N4O4S and molecular weight 388.12 g/mol. IUPAC: 3-[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylpropanoic acid.
Chemical Property Profile of BAS 01122503
Property Insights of BAS 01122503
The XLogP value of 1.35722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01122503. The TPSA of 99.12 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01122503. Following Lipinski's Rule of Five, BAS 01122503 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 01122503?
The CAS number of BAS 01122503 is 332103-43-2.
What is the molecular formula of BAS 01122503?
The molecular formula of BAS 01122503 is C18H20N4O4S.
What is the molecular weight of BAS 01122503?
The molecular weight of BAS 01122503 is 388.12 g/mol.
Where can I buy BAS 01122503?
You can request a quote for BAS 01122503 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01122503?
Yes, KEHONG BIO provides custom synthesis services for BAS 01122503 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.