UPCMLD0ENAT0513-7908:001
TL;DR: UPCMLD0ENAT0513-7908:001 (CAS 315710-94-2) is a chemical compound with molecular formula C27H27N3O2S2 and molecular weight 489.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: UPCMLD0ENAT0513-7908:001, AF-399/15334027, 2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 3-allyl-2-{[2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethylthio]-3-prop-2-enyl-3,5,6,7, 8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-4-one
| Molecular Formula | C27H27N3O2S2 |
|---|---|
| Molecular Weight | 489.15 g/mol |
| LogP | 5.90534 |
| Topological Polar Surface Area | 56.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.15448 |
| Heavy Atoms | 34 |
| Complexity | 1461.0358 |
Chemical Identifiers
| CAS Number | 315710-94-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CSC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3CC=C |
Product Overview
UPCMLD0ENAT0513-7908:001 (CAS 315710-94-2), with molecular formula C27H27N3O2S2 and molecular weight 489.15 g/mol. IUPAC: 2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of UPCMLD0ENAT0513-7908:001
Property Insights of UPCMLD0ENAT0513-7908:001
The XLogP value of 5.90534 indicates that UPCMLD0ENAT0513-7908:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.89 Ų, UPCMLD0ENAT0513-7908:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0513-7908:001 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT0513-7908:001?
The CAS number of UPCMLD0ENAT0513-7908:001 is 315710-94-2.
What is the molecular formula of UPCMLD0ENAT0513-7908:001?
The molecular formula of UPCMLD0ENAT0513-7908:001 is C27H27N3O2S2.
What is the molecular weight of UPCMLD0ENAT0513-7908:001?
The molecular weight of UPCMLD0ENAT0513-7908:001 is 489.15 g/mol.
Where can I buy UPCMLD0ENAT0513-7908:001?
You can request a quote for UPCMLD0ENAT0513-7908:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0513-7908:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0513-7908:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.