巴豆酰辅酶A锂盐
TL;DR: 巴豆酰辅酶A锂盐 (CAS 38795-21-0) is a chemical compound with molecular formula C25H40N7O17P3S and molecular weight 835.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
巴豆酰辅酶A锂盐
S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] but-2-enethioate
Also Known As: crotonyl-coenzyme A, S-But-2-enoylcoenzyme A, Crotonyl coenzyme A, Li-salt, S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] but-2-enethioate, S-{1-[5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} but-2-enethioate
| Molecular Formula | C25H40N7O17P3S |
|---|---|
| Molecular Weight | 835.14 g/mol |
| LogP | -4.8 |
| Topological Polar Surface Area | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 21 |
| Exact Mass | 835.1414 |
| Heavy Atoms | 53 |
| Complexity | 1460.0 |
Chemical Identifiers
| CAS Number | 38795-21-0 |
|---|---|
| SMILES | CC=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O |
| InChIKey | KFWWCMJSYSSPSK-UHFFFAOYSA-N |
Product Overview
巴豆酰辅酶A锂盐 (CAS 38795-21-0), with molecular formula C25H40N7O17P3S and molecular weight 835.14 g/mol. IUPAC: S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] but-2-enethioate.
Chemical Property Profile of 巴豆酰辅酶A锂盐
Property Insights of 巴豆酰辅酶A锂盐
The XLogP value of -4.8 indicates that 巴豆酰辅酶A锂盐 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 389.0 Ų indicates high polarity, suggesting 巴豆酰辅酶A锂盐 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 巴豆酰辅酶A锂盐 has 9 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 巴豆酰辅酶A锂盐?
The CAS number of 巴豆酰辅酶A锂盐 is 38795-21-0.
What is the molecular formula of 巴豆酰辅酶A锂盐?
The molecular formula of 巴豆酰辅酶A锂盐 is C25H40N7O17P3S.
What is the molecular weight of 巴豆酰辅酶A锂盐?
The molecular weight of 巴豆酰辅酶A锂盐 is 835.14 g/mol.
Where can I buy 巴豆酰辅酶A锂盐?
You can request a quote for 巴豆酰辅酶A锂盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 巴豆酰辅酶A锂盐?
Yes, KEHONG BIO provides custom synthesis services for 巴豆酰辅酶A锂盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.