Bay v 3522
TL;DR: Bay v 3522 (CAS 120635-27-0) is a chemical compound with molecular formula C19H19N5O4S2 and molecular weight 445.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-7-[[(2R)-2-amino-2-(2-amino-1,3-benzothiazol-6-yl)acetyl]amino]-8-oxo-3-[(Z)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Bay v 3522, Bay v-3522, BAY-v-3522, BAY-V-3522 ANHYDROUS, (6R,7R)-7-[[(2R)-2-amino-2-(2-amino-1,3-benzothiazol-6-yl)acetyl]amino]-8-oxo-3-[(Z)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C19H19N5O4S2 |
|---|---|
| Molecular Weight | 445.09 g/mol |
| LogP | 1.193 |
| Topological Polar Surface Area | 151.64 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.08786 |
| Heavy Atoms | 30 |
| Complexity | 1125.3228 |
Chemical Identifiers
| CAS Number | 120635-27-0 |
|---|---|
| SMILES | C/C=C\C1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC4=C(C=C3)N=C(S4)N)N)SC1)C(=O)O |
Product Overview
Bay v 3522 (CAS 120635-27-0), with molecular formula C19H19N5O4S2 and molecular weight 445.09 g/mol. IUPAC: (6R,7R)-7-[[(2R)-2-amino-2-(2-amino-1,3-benzothiazol-6-yl)acetyl]amino]-8-oxo-3-[(Z)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of Bay v 3522
Property Insights of Bay v 3522
The XLogP value of 1.193 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bay v 3522. The TPSA of 151.64 Ų indicates high polarity, suggesting Bay v 3522 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bay v 3522 has 4 hydrogen bond donor(s) and 8 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 Bay v 3522?
The CAS number of Bay v 3522 is 120635-27-0.
What is the molecular formula of Bay v 3522?
The molecular formula of Bay v 3522 is C19H19N5O4S2.
What is the molecular weight of Bay v 3522?
The molecular weight of Bay v 3522 is 445.09 g/mol.
Where can I buy Bay v 3522?
You can request a quote for Bay v 3522 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bay v 3522?
Yes, KEHONG BIO provides custom synthesis services for Bay v 3522 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.