Butylmercaptomethylpenicillin
TL;DR: Butylmercaptomethylpenicillin (CAS 6192-29-6) is a chemical compound with molecular formula C14H22N2O4S2 and molecular weight 346.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-6-[(2-butylsulfanylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Penicillin BT, Butylmercaptomethylpenicillin, n-Butylthiomethylpenicillin, 4-27-00-05887 (Beilstein Handbook Reference), 6alpha-[(Butylthio)acetyl]aminopenicillanic acid
| Molecular Formula | C14H22N2O4S2 |
|---|---|
| Molecular Weight | 346.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 346.1021 |
| Heavy Atoms | 22 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 6192-29-6 |
|---|---|
| SMILES | CCCCSCC(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O |
| InChIKey | AMZJKFHHVQNUPT-JFGNBEQYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butylmercaptomethylpenicillin (CAS 6192-29-6), with molecular formula C14H22N2O4S2 and molecular weight 346.10 g/mol. IUPAC: (2S,5R,6R)-6-[(2-butylsulfanylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of Butylmercaptomethylpenicillin
Property Insights of Butylmercaptomethylpenicillin
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butylmercaptomethylpenicillin. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butylmercaptomethylpenicillin. Following Lipinski's Rule of Five, Butylmercaptomethylpenicillin 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 Butylmercaptomethylpenicillin?
The CAS number of Butylmercaptomethylpenicillin is 6192-29-6.
What is the molecular formula of Butylmercaptomethylpenicillin?
The molecular formula of Butylmercaptomethylpenicillin is C14H22N2O4S2.
What is the molecular weight of Butylmercaptomethylpenicillin?
The molecular weight of Butylmercaptomethylpenicillin is 346.10 g/mol.
Where can I buy Butylmercaptomethylpenicillin?
You can request a quote for Butylmercaptomethylpenicillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butylmercaptomethylpenicillin?
Yes, KEHONG BIO provides custom synthesis services for Butylmercaptomethylpenicillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.