Phenylmethyl 9-oxo-11-phenyl-10-oxa-5-thia-2,8-diazaundecanoate
TL;DR: Phenylmethyl 9-oxo-11-phenyl-10-oxa-5-thia-2,8-diazaundecanoate (CAS 26630-73-9) is a chemical compound with molecular formula C20H24N2O4S and molecular weight 388.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[2-[2-(phenylmethoxycarbonylamino)ethylsulfanyl]ethyl]carbamate
Also Known As: Carbamic acid, (thiodiethylene)di-, dibenzyl ester, Dibenzyl [sulfanediyldi(ethane-2,1-diyl)]biscarbamate, N,N -(Thiobisethylene)biscarbamic acid dibenzyl ester, Phenylmethyl 9-oxo-11-phenyl-10-oxa-5-thia-2,8-diazaundecanoate, N,N -[Thiobis(ethylene)]bis(carbamic acid benzyl) ester
| Molecular Formula | C20H24N2O4S |
|---|---|
| Molecular Weight | 388.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 388.1457 |
| Heavy Atoms | 27 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 26630-73-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NCCSCCNC(=O)OCC2=CC=CC=C2 |
| InChIKey | JPGWTOULZMQGLA-UHFFFAOYSA-N |
Product Overview
Phenylmethyl 9-oxo-11-phenyl-10-oxa-5-thia-2,8-diazaundecanoate (CAS 26630-73-9), with molecular formula C20H24N2O4S and molecular weight 388.15 g/mol. IUPAC: benzyl N-[2-[2-(phenylmethoxycarbonylamino)ethylsulfanyl]ethyl]carbamate.
Chemical Property Profile of Phenylmethyl 9-oxo-11-phenyl-10-oxa-5-thia-2,8-diazaundecanoate
Property Insights of Phenylmethyl 9-oxo-11-phenyl-10-oxa-5-thia-2,8-diazaundecanoate
The XLogP value of 3.3 indicates that Phenylmethyl 9-oxo-11-phenyl-10-oxa-5-thia-2,8-diazaundecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenylmethyl 9-oxo-11-phenyl-10-oxa-5-thia-2,8-diazaundecanoate. Following Lipinski's Rule of Five, Phenylmethyl 9-oxo-11-phenyl-10-oxa-5-thia-2,8-diazaundecanoate has 2 hydrogen bond donor(s) and 5 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 Phenylmethyl 9-oxo-11-phenyl-10-oxa-5-thia-2,8-diazaundecanoate?
The CAS number of Phenylmethyl 9-oxo-11-phenyl-10-oxa-5-thia-2,8-diazaundecanoate is 26630-73-9.
What is the molecular formula of Phenylmethyl 9-oxo-11-phenyl-10-oxa-5-thia-2,8-diazaundecanoate?
The molecular formula of Phenylmethyl 9-oxo-11-phenyl-10-oxa-5-thia-2,8-diazaundecanoate is C20H24N2O4S.
What is the molecular weight of Phenylmethyl 9-oxo-11-phenyl-10-oxa-5-thia-2,8-diazaundecanoate?
The molecular weight of Phenylmethyl 9-oxo-11-phenyl-10-oxa-5-thia-2,8-diazaundecanoate is 388.15 g/mol.
Where can I buy Phenylmethyl 9-oxo-11-phenyl-10-oxa-5-thia-2,8-diazaundecanoate?
You can request a quote for Phenylmethyl 9-oxo-11-phenyl-10-oxa-5-thia-2,8-diazaundecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylmethyl 9-oxo-11-phenyl-10-oxa-5-thia-2,8-diazaundecanoate?
Yes, KEHONG BIO provides custom synthesis services for Phenylmethyl 9-oxo-11-phenyl-10-oxa-5-thia-2,8-diazaundecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.