BAS 05626383
TL;DR: BAS 05626383 (CAS 494825-87-5) is a chemical compound with molecular formula C17H18N2O3S2 and molecular weight 362.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-oxooxolan-3-yl)sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: BAS 05626383, 2-(2-oxooxolan-3-yl)sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 2-(2-oxo(3-3,4,5-trihydrofurylthio))-3-prop-2-enyl-3,5,6,7,8-pentahydrobenzo[b ]thiopheno[2,3-d]pyrimidin-4-one, 2-[(2-oxotetrahydrofuran-3-yl)sulfanyl]-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-allyl-2-[(2-oxotetrahydro-3-furanyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C17H18N2O3S2 |
|---|---|
| Molecular Weight | 362.08 g/mol |
| LogP | 2.9304 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.0759 |
| Heavy Atoms | 24 |
| Complexity | 884.0685 |
Chemical Identifiers
| CAS Number | 494825-87-5 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SC3CCOC3=O)SC4=C2CCCC4 |
Product Overview
BAS 05626383 (CAS 494825-87-5), with molecular formula C17H18N2O3S2 and molecular weight 362.08 g/mol. IUPAC: 2-(2-oxooxolan-3-yl)sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of BAS 05626383
Property Insights of BAS 05626383
The XLogP value of 2.9304 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05626383. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05626383. Following Lipinski's Rule of Five, BAS 05626383 has 0 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 05626383?
The CAS number of BAS 05626383 is 494825-87-5.
What is the molecular formula of BAS 05626383?
The molecular formula of BAS 05626383 is C17H18N2O3S2.
What is the molecular weight of BAS 05626383?
The molecular weight of BAS 05626383 is 362.08 g/mol.
Where can I buy BAS 05626383?
You can request a quote for BAS 05626383 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05626383?
Yes, KEHONG BIO provides custom synthesis services for BAS 05626383 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.