Mtp 1307
TL;DR: Mtp 1307 (CAS 111865-28-2) is a chemical compound with molecular formula C24H33N5O9S and molecular weight 567.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);2-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine-6-thiol
Also Known As: Mtp 1307, 7,8-Dihydro-2-(4-methyl-1-piperidinyl)-4-(1-pyrrolidinyl)-6H-thiopyrano(3,2-D)pyrimidine-2-butenedioate, (E)-but-2-enedioic acid;2-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine-6-thiol, 6H-Thiopyrano(3,2-d)pyrimidine, 7,8-dihydro-2-(4-methyl-1-piperazinyl)-4-(1-pyrrolidinyl)-, (Z)-2-butenedioate (1:2), (E)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine-6-thiol
| Molecular Formula | C24H33N5O9S |
|---|---|
| Molecular Weight | 567.20 g/mol |
| LogP | 0.8331 |
| Topological Polar Surface Area | 193.93 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 567.1999 |
| Heavy Atoms | 39 |
| Complexity | 1017.9944 |
Chemical Identifiers
| CAS Number | 111865-28-2 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=C(OC(CC3)S)C(=N2)N4CCCC4.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
Mtp 1307 (CAS 111865-28-2), with molecular formula C24H33N5O9S and molecular weight 567.20 g/mol. IUPAC: bis((E)-but-2-enedioic acid);2-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine-6-thiol.
Chemical Property Profile of Mtp 1307
Property Insights of Mtp 1307
The XLogP value of 0.8331 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mtp 1307. The TPSA of 193.93 Ų indicates high polarity, suggesting Mtp 1307 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mtp 1307 has 5 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 Mtp 1307?
The CAS number of Mtp 1307 is 111865-28-2.
What is the molecular formula of Mtp 1307?
The molecular formula of Mtp 1307 is C24H33N5O9S.
What is the molecular weight of Mtp 1307?
The molecular weight of Mtp 1307 is 567.20 g/mol.
Where can I buy Mtp 1307?
You can request a quote for Mtp 1307 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mtp 1307?
Yes, KEHONG BIO provides custom synthesis services for Mtp 1307 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.