青霉烯酸
TL;DR: 青霉烯酸 (CAS 10250-99-4) is a chemical compound with molecular formula C9H12N2O4S and molecular weight 244.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
青霉烯酸
2-[(5-hydroxy-1,3-oxazol-4-yl)methylideneamino]-3-methyl-3-sulfanylbutanoic acid
Also Known As: Penicillenic acid, 3-Mercapto-N-((5-oxo-4(5H)-oxazolylidene)methyl)valine, Valine, 3-mercapto-N-((5-oxo-4(5H)-oxazolylidene)methyl)-, 2-[(5-hydroxy-1,3-oxazol-4-yl)methylideneamino]-3-methyl-3-sulfanylbutanoic acid, 2,3-Dihydronaphtho(2,3-b)(1,4)dithiine-5,10-dione
| Molecular Formula | C9H12N2O4S |
|---|---|
| Molecular Weight | 244.05 g/mol |
| LogP | 0.9607 |
| Topological Polar Surface Area | 95.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.05177 |
| Heavy Atoms | 16 |
| Complexity | 407.88663 |
Chemical Identifiers
| CAS Number | 10250-99-4 |
|---|---|
| SMILES | CC(C)(C(C(=O)O)N=CC1=C(OC=N1)O)S |
Product Overview
青霉烯酸 (CAS 10250-99-4), with molecular formula C9H12N2O4S and molecular weight 244.05 g/mol. IUPAC: 2-[(5-hydroxy-1,3-oxazol-4-yl)methylideneamino]-3-methyl-3-sulfanylbutanoic acid.
Chemical Property Profile of 青霉烯酸
Property Insights of 青霉烯酸
The XLogP value of 0.9607 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 青霉烯酸. The TPSA of 95.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 青霉烯酸. Following Lipinski's Rule of Five, 青霉烯酸 has 3 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 青霉烯酸?
The CAS number of 青霉烯酸 is 10250-99-4.
What is the molecular formula of 青霉烯酸?
The molecular formula of 青霉烯酸 is C9H12N2O4S.
What is the molecular weight of 青霉烯酸?
The molecular weight of 青霉烯酸 is 244.05 g/mol.
Where can I buy 青霉烯酸?
You can request a quote for 青霉烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 青霉烯酸?
Yes, KEHONG BIO provides custom synthesis services for 青霉烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.