(3S)-6,6-Dibromo-2,2-dimethylpenam-3-carboxylic acid 1,1-dioxide
TL;DR: (3S)-6,6-Dibromo-2,2-dimethylpenam-3-carboxylic acid 1,1-dioxide (CAS 76646-91-8) is a chemical compound with molecular formula C8H9Br2NO5S and molecular weight 388.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5S)-6,6-dibromo-3,3-dimethyl-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: (2S,5S)-6,6-dibromo-3,3-dimethyl-4,4,7-trioxo-4, (3S)-6,6-DIBROMO-2,2-DIMETHYLPENAM-3-CARBOXYLIC ACID 1,1-DIOXIDE, 6,6-dibromo-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid
| Molecular Formula | C8H9Br2NO5S |
|---|---|
| Molecular Weight | 388.86 g/mol |
| LogP | 0.301 |
| Topological Polar Surface Area | 91.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 388.8568 |
| Heavy Atoms | 17 |
| Complexity | 526.0336 |
Chemical Identifiers
| CAS Number | 76646-91-8 |
|---|---|
| SMILES | CC1([C@@H](N2[C@@H](S1(=O)=O)C(C2=O)(Br)Br)C(=O)O)C |
Product Overview
(3S)-6,6-Dibromo-2,2-dimethylpenam-3-carboxylic acid 1,1-dioxide (CAS 76646-91-8), with molecular formula C8H9Br2NO5S and molecular weight 388.86 g/mol. IUPAC: (2S,5S)-6,6-dibromo-3,3-dimethyl-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of (3S)-6,6-Dibromo-2,2-dimethylpenam-3-carboxylic acid 1,1-dioxide
Property Insights of (3S)-6,6-Dibromo-2,2-dimethylpenam-3-carboxylic acid 1,1-dioxide
The XLogP value of 0.301 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-6,6-Dibromo-2,2-dimethylpenam-3-carboxylic acid 1,1-dioxide. The TPSA of 91.75 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-6,6-Dibromo-2,2-dimethylpenam-3-carboxylic acid 1,1-dioxide. Following Lipinski's Rule of Five, (3S)-6,6-Dibromo-2,2-dimethylpenam-3-carboxylic acid 1,1-dioxide has 1 hydrogen bond donor(s) and 4 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 (3S)-6,6-Dibromo-2,2-dimethylpenam-3-carboxylic acid 1,1-dioxide?
The CAS number of (3S)-6,6-Dibromo-2,2-dimethylpenam-3-carboxylic acid 1,1-dioxide is 76646-91-8.
What is the molecular formula of (3S)-6,6-Dibromo-2,2-dimethylpenam-3-carboxylic acid 1,1-dioxide?
The molecular formula of (3S)-6,6-Dibromo-2,2-dimethylpenam-3-carboxylic acid 1,1-dioxide is C8H9Br2NO5S.
What is the molecular weight of (3S)-6,6-Dibromo-2,2-dimethylpenam-3-carboxylic acid 1,1-dioxide?
The molecular weight of (3S)-6,6-Dibromo-2,2-dimethylpenam-3-carboxylic acid 1,1-dioxide is 388.86 g/mol.
Where can I buy (3S)-6,6-Dibromo-2,2-dimethylpenam-3-carboxylic acid 1,1-dioxide?
You can request a quote for (3S)-6,6-Dibromo-2,2-dimethylpenam-3-carboxylic acid 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-6,6-Dibromo-2,2-dimethylpenam-3-carboxylic acid 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for (3S)-6,6-Dibromo-2,2-dimethylpenam-3-carboxylic acid 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.