BAS 00550179
TL;DR: BAS 00550179 (CAS 313668-40-5) is a chemical compound with molecular formula C13H12N2O3S and molecular weight 276.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-(methoxymethyl)-4,11-dimethyl-5-oxa-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
Also Known As: BAS 00550179, 9-(methoxymethyl)-2,7-dimethyl-4H-pyrido[3',2':4,5]thieno[3,2-d][1,3]oxazin-4-one, A0357/0016468, 4-Methoxymethyl-2,6-dimethyl-7-oxa-9-thia-1,5-diaza-fluoren-8-one, 9-(methoxymethyl)-2,7-dimethylpyrido[1,2]thieno[3,4-d][1,3]oxazin-4-one
| Molecular Formula | C13H12N2O3S |
|---|---|
| Molecular Weight | 276.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 89.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.05685 |
| Heavy Atoms | 19 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 313668-40-5 |
|---|---|
| SMILES | CC1=CC(=C2C3=C(C(=O)OC(=N3)C)SC2=N1)COC |
| InChIKey | SXJKTOXHZOOLDU-UHFFFAOYSA-N |
Product Overview
BAS 00550179 (CAS 313668-40-5), with molecular formula C13H12N2O3S and molecular weight 276.06 g/mol. IUPAC: 13-(methoxymethyl)-4,11-dimethyl-5-oxa-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one.
Chemical Property Profile of BAS 00550179
Property Insights of BAS 00550179
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00550179. The TPSA of 89.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00550179. Following Lipinski's Rule of Five, BAS 00550179 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 00550179?
The CAS number of BAS 00550179 is 313668-40-5.
What is the molecular formula of BAS 00550179?
The molecular formula of BAS 00550179 is C13H12N2O3S.
What is the molecular weight of BAS 00550179?
The molecular weight of BAS 00550179 is 276.06 g/mol.
Where can I buy BAS 00550179?
You can request a quote for BAS 00550179 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00550179?
Yes, KEHONG BIO provides custom synthesis services for BAS 00550179 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.