C26-H37-Cl-N4-O6-S2
TL;DR: C26-H37-Cl-N4-O6-S2 (CAS 575-52-0) is a chemical compound with molecular formula C26H37ClN4O6S2 and molecular weight 600.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 4-amino-2-chlorobenzoate;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: Depo-Cer-O-cillin, Penicillin O chloroprocaine, Depo-Cer-O-cillin Chloroprocaine, Chloroprocaine mixture with Penicillin O, Penicillin O mixture with chloroprocaine
| Molecular Formula | C26H37ClN4O6S2 |
|---|---|
| Molecular Weight | 600.18 g/mol |
| LogP | 2.96 |
| Topological Polar Surface Area | 193.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 600.1843 |
| Heavy Atoms | 39 |
| Complexity | 754.0 |
Chemical Identifiers
| CAS Number | 575-52-0 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=C(C=C(C=C1)N)Cl.CC1(C(N2C(S1)C(C2=O)NC(=O)CSCC=C)C(=O)O)C |
| InChIKey | QTSRNJOUSLIETA-UHFFFAOYSA-N |
Product Overview
C26-H37-Cl-N4-O6-S2 (CAS 575-52-0), with molecular formula C26H37ClN4O6S2 and molecular weight 600.18 g/mol. IUPAC: 2-(diethylamino)ethyl 4-amino-2-chlorobenzoate;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 C26-H37-Cl-N4-O6-S2
Property Insights of C26-H37-Cl-N4-O6-S2
The XLogP value of 2.96 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C26-H37-Cl-N4-O6-S2. The TPSA of 193.0 Ų indicates high polarity, suggesting C26-H37-Cl-N4-O6-S2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C26-H37-Cl-N4-O6-S2 has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C26-H37-Cl-N4-O6-S2?
The CAS number of C26-H37-Cl-N4-O6-S2 is 575-52-0.
What is the molecular formula of C26-H37-Cl-N4-O6-S2?
The molecular formula of C26-H37-Cl-N4-O6-S2 is C26H37ClN4O6S2.
What is the molecular weight of C26-H37-Cl-N4-O6-S2?
The molecular weight of C26-H37-Cl-N4-O6-S2 is 600.18 g/mol.
Where can I buy C26-H37-Cl-N4-O6-S2?
You can request a quote for C26-H37-Cl-N4-O6-S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C26-H37-Cl-N4-O6-S2?
Yes, KEHONG BIO provides custom synthesis services for C26-H37-Cl-N4-O6-S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.