VD 2085
TL;DR: VD 2085 (CAS 77442-45-6) is a chemical compound with molecular formula C30H39BrN4O9S2 and molecular weight 742.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Also Known As: VD 2085, 2085P, Pivampicillin 6beta-bromopenicillanate, PIVAMPICILLIN 6-BROMOPENICILLINATE, (2S,5R,6R)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
| Molecular Formula | C30H39BrN4O9S2 |
|---|---|
| Molecular Weight | 742.13 g/mol |
| LogP | 2.2203 |
| Topological Polar Surface Area | 236.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 742.13416 |
| Heavy Atoms | 46 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 77442-45-6 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)Br)C(=O)O)C.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)OCOC(=O)C(C)(C)C)C |
| InChIKey | NSZOIZOWOWUYKG-GFZUYOJISA-N |
Product Overview
VD 2085 (CAS 77442-45-6), with molecular formula C30H39BrN4O9S2 and molecular weight 742.13 g/mol. IUPAC: (2S,5R,6R)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate.
Chemical Property Profile of VD 2085
Property Insights of VD 2085
The XLogP value of 2.2203 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VD 2085. The TPSA of 236.0 Ų indicates high polarity, suggesting VD 2085 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, VD 2085 has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of VD 2085?
The CAS number of VD 2085 is 77442-45-6.
What is the molecular formula of VD 2085?
The molecular formula of VD 2085 is C30H39BrN4O9S2.
What is the molecular weight of VD 2085?
The molecular weight of VD 2085 is 742.13 g/mol.
Where can I buy VD 2085?
You can request a quote for VD 2085 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VD 2085?
Yes, KEHONG BIO provides custom synthesis services for VD 2085 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.