ALMECILLIN
TL;DR: ALMECILLIN (CAS 87-09-2) is a chemical compound with molecular formula C13H18N2O4S2 and molecular weight 330.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-7-oxo-6-[(2-prop-2-enylsulfanylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: 3,5-Dihydroxyergosta-7,22-dien-6-one, 3,3-dimethyl-7-oxo-6-[(2-prop-2-enylsulfanylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-(2-(Allylthio)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
| Molecular Formula | C13H18N2O4S2 |
|---|---|
| Molecular Weight | 330.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 330.0708 |
| Heavy Atoms | 21 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 87-09-2 |
|---|---|
| SMILES | CC1(C(N2C(S1)C(C2=O)NC(=O)CSCC=C)C(=O)O)C |
| InChIKey | QULKGELYPOJSLP-UHFFFAOYSA-N |
Product Overview
ALMECILLIN (CAS 87-09-2), with molecular formula C13H18N2O4S2 and molecular weight 330.07 g/mol. IUPAC: 3,3-dimethyl-7-oxo-6-[(2-prop-2-enylsulfanylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of ALMECILLIN
Property Insights of ALMECILLIN
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ALMECILLIN. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ALMECILLIN. Following Lipinski's Rule of Five, ALMECILLIN 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 ALMECILLIN?
The CAS number of ALMECILLIN is 87-09-2.
What is the molecular formula of ALMECILLIN?
The molecular formula of ALMECILLIN is C13H18N2O4S2.
What is the molecular weight of ALMECILLIN?
The molecular weight of ALMECILLIN is 330.07 g/mol.
Where can I buy ALMECILLIN?
You can request a quote for ALMECILLIN directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ALMECILLIN?
Yes, KEHONG BIO provides custom synthesis services for ALMECILLIN and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.