苄青霉酸
TL;DR: 苄青霉酸 (CAS 13118-13-3) is a chemical compound with molecular formula C16H18N2O4S and molecular weight 334.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苄青霉酸
5-benzyl-2,2-dimethyl-7,7a-dihydro-3H-imidazo[5,1-b][1,3]thiazole-3,7-dicarboxylic acid
Also Known As: Benzylpenillic acid, 5-ethylphenazin-5-ium ethyl sulfate, NCI60_041676, 5-Benzyl-2,2-dimethyl-2,3,7,7a-tetrahydroimidazo[5,1-b]thiazole-3,7-dicarboxylic acid, 5-benzyl-2,2-dimethyl-2,3,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylic acid
| Molecular Formula | C16H18N2O4S |
|---|---|
| Molecular Weight | 334.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.09872 |
| Heavy Atoms | 23 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 13118-13-3 |
|---|---|
| SMILES | CC1(C(N2C(S1)C(N=C2CC3=CC=CC=C3)C(=O)O)C(=O)O)C |
| InChIKey | PSPRNQOVLYLHSA-UHFFFAOYSA-N |
Product Overview
苄青霉酸 (CAS 13118-13-3), with molecular formula C16H18N2O4S and molecular weight 334.10 g/mol. IUPAC: 5-benzyl-2,2-dimethyl-7,7a-dihydro-3H-imidazo[5,1-b][1,3]thiazole-3,7-dicarboxylic acid.
Chemical Property Profile of 苄青霉酸
Property Insights of 苄青霉酸
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苄青霉酸. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 苄青霉酸. Following Lipinski's Rule of Five, 苄青霉酸 has 2 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 苄青霉酸?
The CAS number of 苄青霉酸 is 13118-13-3.
What is the molecular formula of 苄青霉酸?
The molecular formula of 苄青霉酸 is C16H18N2O4S.
What is the molecular weight of 苄青霉酸?
The molecular weight of 苄青霉酸 is 334.10 g/mol.
Where can I buy 苄青霉酸?
You can request a quote for 苄青霉酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苄青霉酸?
Yes, KEHONG BIO provides custom synthesis services for 苄青霉酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.