BAS 04383398
TL;DR: BAS 04383398 (CAS 312951-82-9) is a chemical compound with molecular formula C14H13NO6S and molecular weight 323.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-carboxy-3-methylsulfanylpropyl)-1,3-dioxoisoindole-5-carboxylic acid
Also Known As: BAS 04383398, 2-[1-carboxy-3-(methylsulfanyl)propyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid, 2-(1-carboxy-3-(methylthio)propyl)-1,3-dioxoisoindoline-5-carboxylic acid, 2-(1-carboxy-3-methylsulfanylpropyl)-1,3-dioxoisoindole-5-carboxylic acid, 2-(1-carboxy-3-methylthiopropyl)-1,3-dioxobenzo[c]azoline-5-carboxylic acid
| Molecular Formula | C14H13NO6S |
|---|---|
| Molecular Weight | 323.05 g/mol |
| LogP | 1.1871 |
| Topological Polar Surface Area | 111.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.04636 |
| Heavy Atoms | 22 |
| Complexity | 671.29694 |
Chemical Identifiers
| CAS Number | 312951-82-9 |
|---|---|
| SMILES | CSCCC(C(=O)O)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O |
Product Overview
BAS 04383398 (CAS 312951-82-9), with molecular formula C14H13NO6S and molecular weight 323.05 g/mol. IUPAC: 2-(1-carboxy-3-methylsulfanylpropyl)-1,3-dioxoisoindole-5-carboxylic acid.
Chemical Property Profile of BAS 04383398
Property Insights of BAS 04383398
The XLogP value of 1.1871 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04383398. The TPSA of 111.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04383398. Following Lipinski's Rule of Five, BAS 04383398 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 04383398?
The CAS number of BAS 04383398 is 312951-82-9.
What is the molecular formula of BAS 04383398?
The molecular formula of BAS 04383398 is C14H13NO6S.
What is the molecular weight of BAS 04383398?
The molecular weight of BAS 04383398 is 323.05 g/mol.
Where can I buy BAS 04383398?
You can request a quote for BAS 04383398 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04383398?
Yes, KEHONG BIO provides custom synthesis services for BAS 04383398 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.