Xalacom
TL;DR: Xalacom (CAS 852336-82-4) is a chemical compound with molecular formula C39H64N4O8S and molecular weight 748.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate
Also Known As: Xalacom, Latanoprost-timolol, Latanoprost mixture with timolol, (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate
| Molecular Formula | C39H64N4O8S |
|---|---|
| Molecular Weight | 748.44 g/mol |
| LogP | 4.6889 |
| Topological Polar Surface Area | 166.73 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 19 |
| Exact Mass | 748.44446 |
| Heavy Atoms | 52 |
| Complexity | 1284.6182 |
Chemical Identifiers
| CAS Number | 852336-82-4 |
|---|---|
| SMILES | CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1CC[C@H](CCC2=CC=CC=C2)O)O)O.CC(C)(C)NC[C@@H](COC1=NSN=C1N2CCOCC2)O |
Product Overview
Xalacom (CAS 852336-82-4), with molecular formula C39H64N4O8S and molecular weight 748.44 g/mol. IUPAC: (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate.
Chemical Property Profile of Xalacom
Property Insights of Xalacom
The XLogP value of 4.6889 indicates that Xalacom is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 166.73 Ų indicates high polarity, suggesting Xalacom may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Xalacom has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Xalacom?
The CAS number of Xalacom is 852336-82-4.
What is the molecular formula of Xalacom?
The molecular formula of Xalacom is C39H64N4O8S.
What is the molecular weight of Xalacom?
The molecular weight of Xalacom is 748.44 g/mol.
Where can I buy Xalacom?
You can request a quote for Xalacom directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xalacom?
Yes, KEHONG BIO provides custom synthesis services for Xalacom and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.