RefChem:120713
TL;DR: RefChem:120713 (CAS 307316-55-8) is a chemical compound with molecular formula C36H41Cl2N5O8S3 and molecular weight 837.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-7-[[2-[4-[(E)-3-(carboxylatomethylamino)-3-oxoprop-1-enyl]-2,5-dichlorophenyl]sulfanylacetyl]amino]-3-[[2,6-dimethyl-1-[3-(4-methylmorpholin-4-ium-4-yl)propyl]pyridin-1-ium-4-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: RefChem:120713
| Molecular Formula | C36H41Cl2N5O8S3 |
|---|---|
| Molecular Weight | 837.15 g/mol |
| LogP | 0.93224 |
| Topological Polar Surface Area | 171.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 16 |
| Exact Mass | 837.1494 |
| Heavy Atoms | 54 |
| Complexity | 1864.9785 |
Chemical Identifiers
| CAS Number | 307316-55-8 |
|---|---|
| SMILES | CC1=CC(=CC(=[N+]1CCC[N+]2(CCOCC2)C)C)SCC3=C(N4[C@@H]([C@@H](C4=O)NC(=O)CSC5=C(C=C(C(=C5)Cl)/C=C/C(=O)NCC(=O)[O-])Cl)SC3)C(=O)[O-] |
Product Overview
RefChem:120713 (CAS 307316-55-8), with molecular formula C36H41Cl2N5O8S3 and molecular weight 837.15 g/mol. IUPAC: (6R,7R)-7-[[2-[4-[(E)-3-(carboxylatomethylamino)-3-oxoprop-1-enyl]-2,5-dichlorophenyl]sulfanylacetyl]amino]-3-[[2,6-dimethyl-1-[3-(4-methylmorpholin-4-ium-4-yl)propyl]pyridin-1-ium-4-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.
Chemical Property Profile of RefChem:120713
Property Insights of RefChem:120713
The XLogP value of 0.93224 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:120713. The TPSA of 171.88 Ų indicates high polarity, suggesting RefChem:120713 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:120713 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:120713?
The CAS number of RefChem:120713 is 307316-55-8.
What is the molecular formula of RefChem:120713?
The molecular formula of RefChem:120713 is C36H41Cl2N5O8S3.
What is the molecular weight of RefChem:120713?
The molecular weight of RefChem:120713 is 837.15 g/mol.
Where can I buy RefChem:120713?
You can request a quote for RefChem:120713 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:120713?
Yes, KEHONG BIO provides custom synthesis services for RefChem:120713 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.