UPCMLD0ENAT0507-4309:001
TL;DR: UPCMLD0ENAT0507-4309:001 (CAS 301156-91-2) is a chemical compound with molecular formula C18H17N3O2S and molecular weight 339.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-(4-methoxyphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: UPCMLD0ENAT0507-4309:001, (E)-3-((4-methoxybenzylidene)amino)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 3-[(E)-(4-methoxyphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 3-{[(E)-(4-methoxyphenyl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C18H17N3O2S |
|---|---|
| Molecular Weight | 339.10 g/mol |
| LogP | 3.2276 |
| Topological Polar Surface Area | 56.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.10416 |
| Heavy Atoms | 24 |
| Complexity | 970.3328 |
Chemical Identifiers
| CAS Number | 301156-91-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=N/N2C=NC3=C(C2=O)C4=C(S3)CCCC4 |
Product Overview
UPCMLD0ENAT0507-4309:001 (CAS 301156-91-2), with molecular formula C18H17N3O2S and molecular weight 339.10 g/mol. IUPAC: 3-[(E)-(4-methoxyphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of UPCMLD0ENAT0507-4309:001
Property Insights of UPCMLD0ENAT0507-4309:001
The XLogP value of 3.2276 indicates that UPCMLD0ENAT0507-4309:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.48 Ų, UPCMLD0ENAT0507-4309:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0507-4309:001 has 0 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 UPCMLD0ENAT0507-4309:001?
The CAS number of UPCMLD0ENAT0507-4309:001 is 301156-91-2.
What is the molecular formula of UPCMLD0ENAT0507-4309:001?
The molecular formula of UPCMLD0ENAT0507-4309:001 is C18H17N3O2S.
What is the molecular weight of UPCMLD0ENAT0507-4309:001?
The molecular weight of UPCMLD0ENAT0507-4309:001 is 339.10 g/mol.
Where can I buy UPCMLD0ENAT0507-4309:001?
You can request a quote for UPCMLD0ENAT0507-4309:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0507-4309:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0507-4309:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.