BAS 00844553
TL;DR: BAS 00844553 (CAS 303973-48-0) is a chemical compound with molecular formula C17H19ClN4O3S and molecular weight 394.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3-chloro-2-hydroxypropyl)sulfanyl-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione
Also Known As: BAS 00844553, 8-[(3-chloro-2-hydroxypropyl)sulfanyl]-3-methyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione, 8-[(3-chloro-2-hydroxypropyl)sulfanyl]-3-methyl-7-[(3-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-(3-chloro-2-hydroxypropyl)sulfanyl-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione, 8-((3-chloro-2-hydroxypropyl)thio)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C17H19ClN4O3S |
|---|---|
| Molecular Weight | 394.09 g/mol |
| LogP | 1.47182 |
| Topological Polar Surface Area | 92.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.08664 |
| Heavy Atoms | 26 |
| Complexity | 1056.3231 |
Chemical Identifiers
| CAS Number | 303973-48-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C3=C(N=C2SCC(CCl)O)N(C(=O)NC3=O)C |
Product Overview
BAS 00844553 (CAS 303973-48-0), with molecular formula C17H19ClN4O3S and molecular weight 394.09 g/mol. IUPAC: 8-(3-chloro-2-hydroxypropyl)sulfanyl-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione.
Chemical Property Profile of BAS 00844553
Property Insights of BAS 00844553
The XLogP value of 1.47182 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00844553. The TPSA of 92.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00844553. Following Lipinski's Rule of Five, BAS 00844553 has 2 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 00844553?
The CAS number of BAS 00844553 is 303973-48-0.
What is the molecular formula of BAS 00844553?
The molecular formula of BAS 00844553 is C17H19ClN4O3S.
What is the molecular weight of BAS 00844553?
The molecular weight of BAS 00844553 is 394.09 g/mol.
Where can I buy BAS 00844553?
You can request a quote for BAS 00844553 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00844553?
Yes, KEHONG BIO provides custom synthesis services for BAS 00844553 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.