Kumihop
TL;DR: Kumihop (CAS 61104-03-8) is a chemical compound with molecular formula C23H40O9P2S3 and molecular weight 618.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate;di(propan-2-yloxy)phosphorylsulfanylmethylbenzene
Also Known As: Kumihop, Butanedioic acid, ((dimethoxyphosphinothioyl)thio)-, diethyl ester, mixt. with O,O-bis(1-methylethyl) S-(phenylmethyl) phosphorothioate, Butanedioic acid, ((dimethoxyphosphinothioyl)thio)-, diethyl ester, mixt. with O,O-bis(1-methylethyl) S-(phenylmethyl)phosphorothioate, Diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]butanedioate--S-benzyl O,O-di(propan-2-yl) phosphorothioate (1/1), Diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]butanedioate--S-benzyl O,O-dipropan-2-yl phosphorothioate (1/1)
| Molecular Formula | C23H40O9P2S3 |
|---|---|
| Molecular Weight | 618.13 g/mol |
| LogP | 6.9997 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 18 |
| Exact Mass | 618.131 |
| Heavy Atoms | 37 |
| Complexity | 602.0 |
Chemical Identifiers
| CAS Number | 61104-03-8 |
|---|---|
| SMILES | CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC.CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1 |
| InChIKey | PPJLVABCEJUPIP-UHFFFAOYSA-N |
Product Overview
Kumihop (CAS 61104-03-8), with molecular formula C23H40O9P2S3 and molecular weight 618.13 g/mol. IUPAC: diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate;di(propan-2-yloxy)phosphorylsulfanylmethylbenzene.
Chemical Property Profile of Kumihop
Property Insights of Kumihop
The XLogP value of 6.9997 indicates that Kumihop is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 189.0 Ų indicates high polarity, suggesting Kumihop may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Kumihop has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Kumihop?
The CAS number of Kumihop is 61104-03-8.
What is the molecular formula of Kumihop?
The molecular formula of Kumihop is C23H40O9P2S3.
What is the molecular weight of Kumihop?
The molecular weight of Kumihop is 618.13 g/mol.
Where can I buy Kumihop?
You can request a quote for Kumihop directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kumihop?
Yes, KEHONG BIO provides custom synthesis services for Kumihop and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.